UCSF

ZINC01529642

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 9 Yes

Popular Name: Bis(3-aminopropyl)amine Bis(3-aminopropyl)amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 56-18-8 , [56-18-8]

Other Names:

1,3-propanediamine;1,7-Diamino-4-azaheptane;3, 3'-Diaminodipropylamine;3, {3'-Iminobis[propylamine]};3,3'-Diamino-Dipropylamine;3,3'-Diaminodipropylamine;3,3'-Iminobis(propylamine);3,3'-Iminobis-1-Propanamine;3,3'-Iminobis-Propylamine;3,3'-Iminobispropyl

1,3-Propanediamine, N-(3-aminopropyl)-, polymer with (chloromethyl)oxirane; Dipropylenetramine, (chloromethyl)oxirane polymer; HOE S 3837; LS-119396; N-(3-Aminopropyl)-1,3-propanediamine (chloromethyl)oxirane polymer; N-(3-Aminopropyl)-1,3-propanediamine

1,3-Propanediamine, N-(3-aminopropyl)-; 1,7-Diamino-4-azaheptane; 1-Propanamine, 3,3'-iminobis-; 3,3'-Iminobis(propylamine); 3,3'-Iminobispropylamine; 3,3'-Iminodi(propylamine); 3,3'-Iminodipropylamine [UN2269] [Corrosive]; 3,3-Diaminodipropylamine; 4-Aza

1,7-diamino-4-azaheptane; 3,3'-iminobis(propylamine); 3,3'-iminodi(propylamine); 3,3-diaminodipropylamine; 4-azaheptane-1,7-diamine; N-(3-aminopropyl)-1,3-propanediamine; N-(3-aminopropyl)propane-1,3-diamine; N-3-aminopropyl-1,3-diaminopropane; dipropylen

3,3'-Diaminodipropylamine

3,3'-Iminobispropylamine; 56-18-8; Bis(3-aminopropyl)amine; C03375; Norspermidine

3,3'-Iminobispropylamine; 56-18-8; N-3-aminopropyl-1,3-diaminopropane; bis(3-aminopropyl)amine; norspermidine; sym-norspermidine

3,3'-Iminodi(propylamine)

bis(3-azaniumylpropyl)azanium

CHEBI:13912; CHEBI:22890; CHEBI:3117

Dipropylenetriamine

MFCD00008214

N-(3-ammoniopropyl)propane-1,3-diaminium; bis(3-aminopropyl)amine; bis(3-azaniumylpropyl)azanium trication; bis(3-azaniumylpropyl)azanium(3+)

Norspermidine

Download: MOL2 SDF SMILES Flexibase

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) -2.10 -6.75 -183.75 8 3 3 71 134.247 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 14 TCI
MP 14 - -12 Enamine Building Blocks
MP 14...-12 Enamine Building Blocks
BP 115 / 9 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Patent Database Links EP1344769; EP1422218; EP1574217; EP1685843; US2006281820 ChEBI
UniProt Database Links NSPC_CAMJ8; NSPC_HERAR; NSPC_VIBAL; NSPC_VIBCH; NSPC_VIBCL; NSPC_VIBVU ChEBI
UniProt Database Links NSPC_CAMJ8; NSPC_HERAR; NSPC_VIBAL; NSPC_VIBCH; NSPC_VIBCL; NSPC_VIBVU; NSPS_VIBCH; PAO1_ARATH; QSOX1_ARATH; SAT1_BOVIN; SAT1_CHICK; SAT1_CRIGR; SAT1_HUMAN; SAT1_MESAU; SAT1_MOUSE; SAT1_MUSSA; SAT1_PIG; SAT2_BOVIN; SAT2_HUMAN; SAT2_MOUSE; SAT2_PIG; SPEE_T ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80193-7-O L1210 (Lymphocytic Leukemia Cells) (cluster #7 Of 12), Other Other 900 0.94 Functional ≤ 10μM
Z80712-6-O T47D (Breast Carcinoma Cells) (cluster #6 Of 7), Other Other 9500 0.78 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 500 0.98 Functional ≤ 10μM
Z80712 Z80712 T47D (Breast Carcinoma Cells) 9500 0.78 Functional ≤ 10μM

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