UCSF

ZINC00164363

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 14 Yes

Popular Name: 1,10-phenanthroline 1,10-phenanthroline

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 1300746-79-5 , 14586-54-0 , 14634-91-4 , 14783-09-6 , 14783-10-9 , 17112-07-1 , 18432-95-6 , 18851-33-7 , 19319-86-9 , 19319-88-1 , 23425-29-8 , 23570-43-6 , 3829-86-5 , 5144-89-8 , 66-71-7 , Dibromo(1,10-phenanthroline)copper(II) , Dichloro(1,10-phenanthroline)copper(II) , Dichloro(1,10-phenanthroline)palladium(II) , Dinitrato(1,10-phenanthroline)copper(II) , [14634-91-4] , [14783-10-9] , [3829-86-5] , [5144-89-8] , [66-71-7]

Other Names:

"1,10-Phenanthroline, 99%"

(1,10-Phenanthroline)(trifluoromethyl)copper(I), 95%

(1,10-Phenanthroline)zinc(2+); LS-162883; Zinc complex of O-phenanthroline; Zinc phenanthroline complex; Zinc(2+), (1,10-phenanthroline)-, ion; Zinc(2+), (1,10-phenanthroline-N1,N10)-; Zinc, Complex with 1,10-phenanthrolinylene; Zinc-1,10-phenanthroline c

(o-Phenanthroline) cupric; Bis(1,10-phenanthroline)copper(2+) ion; Copper / 1,10-phenanthroline complex; Copper(2+), bis(1,10-phenanthroline-N1,N10)-, (SP-4-1)-; Copper(2+)-1,10-phenanthroline complex; Copper(II) - 1,10-phenanthroline complex; Copper(II)-

(OC-6-22)-Dichlorobis(1,10-phenanthroline-N(sup 1),N(sup 10))rhodium chloride; LS-143670; Rhodium(1+), dichlorobis(1,10-phenanthroline-N(sup 1),N(sup 10))-, chloride, (OC-6-22)-; cis-Dichlorobis(1,10-phenanthroline)rhodium chloride

(OP)2Cu(I); .beta.-phenanthroline; 1, 10-Phenanthroline, monohydrochloride; 1,10-Diazaphenanthrene hydrochloride; 1,10-Fenanthrolin [Czech]; 1,10-Fenanthroline; 1,10-o-Phenanthroline; 1,10-Phenanthroline; 1,10-Phenanthroline hydrochloride; 1,10-Phenanthro

(OP)2Cu(I); 1,10-Fenanthrolin [Czech]; 1,10-Phenanthroline; 1,10-o-Phenanthroline; 2-Phenanthroline; 4,5-Diazaphenanthrene; C12H8N2; CCRIS 4855; EINECS 200-629-2; LS-284; NSC 203545; NSC 4265; O-PHE; Orthophenanthroline; beta-Phenanthroline; copper phenan

1,10-fenanthroline; 1,10-o-phenanthroline; 1,10-phenanthroline; 2-phenanthroline; beta-phenanthroline; o-phenanthroline; orthophenanthroline

1,10-Phenanthroline anhydrous

1,10-Phenanthroline hydrate

1,10-PHENANTHROLINE HYDROCHLORIDE

1,10-Phenanthroline Hydrochloride Monohydrate

1,10-Phenanthroline iron(II) perchlorate

1,10-Phenanthroline iron(II) sulfate, 0.025M aq. soln.

1,10-Phenanthroline monhydrate

1,10-Phenanthroline monohydrate

1,10-Phenanthroline Monohydrate [for Biochemical Research]

1,10-Phenanthroline monohydrate, 99+%

1,10-Phenanthroline monohydrate, 99+%, pure

1,10-Phenanthroline monohydrate, ACS

1,10-Phenanthroline monohydrate, ACS reagent

1,10-phenanthroline monohydrochloride

1,10-Phenanthroline monohydrochloride monohydrate

1,10-Phenanthroline monohydrochloride monohydrate, 97%

1,10-Phenanthroline monohydrochloride monohydrate, 99%

1,10-Phenanthroline, 99+%

1,10-Phenanthroline, anhydrous

1,10-Phenanthroline, anhydrous, 99%

1,10-Phenanthroline, monohydrate; 4,5-Phenanthroline monohydrate; AI3-22011; LS-102957; o-Phenanthroline monohydrate

1,10-Phenanthroline,hydrochloride; o-Phenanthrolin

1,10-Phenanthroline,hydrochloride; o-Phenanthroline,hydrochloride

1,10-Phenanthroline-platinum(II)-ethylenediamine; 1,10-Phenanthrolineethylenediammineplatinum(II); LS-117769; Platinum(2+), (1,2-ethanediamine-N,N')(1,10-phenanthroline-N1,N10)-, (SP-4-2)-; Platinum(II), ethylenediammine(1,10-phenathroline)-

1,10-Phenanthroline; 66-71-7; C00604; o-Phenanthroline

1,10-PHENANTHROLINEIRON(II)PERCHLORATE

1,10-Phenanthrolinium chloride monohydrate

1,10-PHENANTHROLINIUMCHLORIDEMONOHYDRATE

1=10-phenantroline

3829-86-5; [1,10]phenanthroline; nsc4265

3C12H8N2.Fe; Fe(phen)3; Iron(2+), tris(1,10-phenanthroline-N1,N10)-, (OC-6-11)-; LS-173295; ferroin; iron(II) 1,10-phenanthroline; ortho-phenanthroline

95

CCRIS 6175; Chromium(1+), bis(1,10-phenanthroline)dichloro-, chloride, dihydrate, cis-; LS-53413; cis-(Dichlorobis(1,10-phenanthroline)chromium(1+))chloride; cis-Dichlorobis(1,10-phenanthroline)chromium chloride; cis-Dichlorobis(1,10-phenanthroline)chromi

CHEBI:476; CHEBI:44973

Dibromo(1,10-phenanthroline) copper(ii)

Dichloro(1,10-phenanthroline)copper(II)

Dichloro(1,10-phenanthroline)palladium(II)

Dichloro(1,10-phenanthroline)platinum(ii)

Dichloro(1,10-phenathroline)platinum(II); Dichloro(o-phenanthroline)platinum; LS-117752; Platinum (II), dichloro(1,10-phenanthroline)-; Platinum, dichloro(1,10-phenanthroline-N1,N10)-, (SP-4-2)-

Dicyanobis(1,10-phenanthroline)iron(II) dihydrate

Ferroin

IRON II TRIS(1,10-PHENANTHROLINE) HEXAFLUOROPHOSPHATE

iron(2+); 1,10-phenanthroline; sulfate

Iron, (ethanedioato(2-)-O,O')bis(1,10-phenanthroline-N(sup 1),N(sup 10))-, (OC-6-22)-; Iron, bis(1,10-phenanthroline)oxalato-; LS-84247

IRONIITRIS HEXAFLUOROPHOSPHATE

LS-144042; Ruthenium(2+), tris(2,2'-bipyridine-N,N')-, dichloride, hexahydrate, (OC-6-11)-; Ruthenium(2+), tris(2,2'-bipyridine-kappaN1,kappa1')-, dichloride, hexahydrate, (OC-6-11)-; Tris(2,2'-bipyridine)ruthenium dichloride hexahydrate; Tris(2,2'-bipyri

MFCD00011678

MFCD00036428

MFCD00050959

MFCD00061374

MFCD00134224

MFCD00149973

MFCD00150061

MFCD00150644

MFCD00191993

MFCD00192008

MFCD00192009

MFCD19690901

o-Phenanthroline monohydrate

OR-0204

OR-0643

PHENANTHROLINE 110-,

QB-0701

Trifluoromethyl(1,10-phenanthroline)copper(I)

Trifluoromethylator|r

Trifluoromethylator®

Tris(1,10-Phenanthrolene) ruthenium (II) chloride

Tris(1,10-phenanthroline)iron(II) sulfate, 0.025M aqueous solution

Tris(1,10-phenanthroline)ruthenium dichloride

Tris-(1,10-phenanthroline) ruthenium (ii) chloride

[1,10]phenanthroline

[1,10]phenanthroline hydrochloride hydrate

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 5.39 -13.16 0 2 0 26 180.21 0 ↓
Lo Low (pH 4.5-6) 1.90 5.91 -29.73 1 2 1 27 181.218 0 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 14.813 Bitter DB
ALOGPS_SOLUBILITY 1.32e-01 g/l DrugBank-experimental
MP 100 - 104 Enamine Building Blocks
MP 100...104 Enamine Building Blocks
MP 102 TCI
MP 114-117° Oakwood Chemical
Melting_Point 116-119? Alfa-Aesar
Melting_Point 116-119° Alfa-Aesar
Mp [°C] 117 - 120 Acros Organics
mp 190 - 192 MolMall (formerly Molecular Diversity Preservation International)
mp 190 - 193 MolMall (formerly Molecular Diversity Preservation International)
mp 196 - 197 MolMall (formerly Molecular Diversity Preservation International)
Mp [°C] 224 - 226 Acros Organics
UniProt Database Links 3HAPM_CUPPJ; 6HN3M_PSEFL; A1HA_LOXIN; AHLL_BACSP; AK1C1_HUMAN; AK1C2_HUMAN; AMP1_PLAFQ; AMPN_HELAM; AMZ1_HUMAN; AMZ1_MOUSE; AMZ1_RAT; AMZ2_HUMAN; AMZ2_MACFA; AMZ2_MOUSE; AMZ2_PONAB; AMZ2_RAT; APHA_ECOLI; CBP1_SABMA; CBPM_HUMAN; CTPA_ACUOB; DDAH1_HUMAN; DE ChEBI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Mp [°C] 97 - 101 Acros Organics
Melting_Point 97-101? Alfa-Aesar
Melting_Point 97-101° Alfa-Aesar
MP 97-102° Matrix Scientific
Purity 98% Fluorochem
Boiling_Point >330? Alfa-Aesar
Boiling_Point >330° Alfa-Aesar
Melting_Point ca 225? dec. Alfa-Aesar
Melting_Point ca 225° dec. Alfa-Aesar
Patent Database Links EP0813875; EP1178042; EP1559431; EP1712557; US2004138502; US2004171543; US2005255575; US2006167061; US2006264639; US2007178158; US2007191368; US2007231334; US2007243132; WO2005000804; WO2005116198; WO2008112280 ChEBI
H phrase H301: Toxic if swallowed Acros Organics
H phrase H301: Toxic if swallowed; H410: Very toxic to aquatic life with long lasting effects Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H302: Harmful if swallowed; H315: Causes skin irritation; H312: Harmful in contact with skin; H335: May cause respiratory irritation; H332: Harmful if inhaled; EUH031: Contact with acids liberates toxic gas Acros Organics
H phrase H410: Very toxic to aquatic life with long lasting effects Acros Organics
H phrase H410: Very toxic to aquatic life with long lasting effects; H301: Toxic if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P273: Avoid release to the environment Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R31: Contact with acids liberates toxic gas.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R25: Toxic if swallowed. Acros Organics
R phrase R25: Toxic if swallowed.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
S phrase S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
S phrase S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S60: This material and its container must be disposed of as hazardous waste.; S61: Avoid release to the environment. Refer to special instruc Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics
Warnings Toxic Matrix Scientific
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50380-3-O Mycobacterium Smegmatis (cluster #3 Of 4), Other Other 5760 0.52 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 1585 0.58 Functional ≤ 10μM
Z81034-6-O A2780 (Ovarian Carcinoma Cells) (cluster #6 Of 10), Other Other 3660 0.54 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81034 Z81034 A2780 (Ovarian Carcinoma Cells) 2730 0.56 Functional ≤ 10μM
Z50380 Z50380 Mycobacterium Smegmatis 4990 0.53 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 1000 0.60 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )