UCSF

ZINC18456279

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2008 34 No

Popular Name: Leucovorin calcium Leucovorin calcium

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1492-18-8 , 163254-40-8 , 41927-89-3 , 58-05-9 , 6035-45-6 , 80433-71-2 , [1492-18-8] , [163254-40-8] , [58-05-9]

Other Names:

"Folinic acid calcium salt hydrate, 98%"

(+)-L-Folinic acid, calcium salt; C20H21N7O7.Ca; Calcii folinas [INN-Latin]; Calcium 5-formyltetrahydrofolate; Calcium N-(p-((((6RS)-2-amino-5-formyl-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-L-glutamate (1:1); Calcium citrovorum fac

(5-formyl-5,6,7,8-tetrahydropteroyl)glutamate; 10-Formyl-7,8-dihydrofolic acid; 5-Formyl-5,6,7,8-tetrahydrofolic acid; 5-Formyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid; Acide folinique; Leucovorin; Leucovorinum; N-(5-formyl-5,6,7,8-tetrahydropteroyl)-L-

(6R,S)-5-Formyltetrahydrofolate; 10-Formyl-7,8-dihydrofolate; 10-Formyl-7,8-dihydrofolic acid; 5-Formyl-5,6,7,8-tetrahydrofolate; 5-Formyl-5,6,7,8-tetrahydrofolic acid; 5-Formyltetrahydrofolate; 5-Formyltetrahydrofolic acid; 5-Formyltetrahydropteroylgluta

(6R,S)-5-Formyltetrahydrofolate;10-Formyl-7,8-dihydrofolate;10-Formyl-7,8-dihydrofolic acid;5-Formyl-5,6,7,8-tetrahydrofolate;5-Formyl-5,6,7,8-tetrahydrofolic acid;5-Formyltetrahydrofolate;5-Formyltetrahydrofolic acid;5-Formyltetrahydropteroylglutamate;5-

(6S)-5-formyltetrahydrofolate(2-)

1492-18-8; Calcium folinate (JP16); D01211; Leucovorin calcium (USP); Uzel (TN); Wellcovorin (TN)

2-[(4-{[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid

5-CHO-THF; 5-formyl-H4F; 5-formyl-THF; 5-formyl-THF leucovorin; 5-formyl-tetrahydrofolate; 58-05-9; N5-formyl-H4F; citrovorum factor; folinate; folinic acid; formyl-H4F; n5-formyl-thf; n5-formyltetrahydrofolate

5-FORMLYL-5,6,7,8-TETRAHYDROFOLIC ACID,CALCIUM SAL

5-FORMLYL-5,6,7,8-TETRAHYDROFOLIC ACID,CALCIUM SALT

5-Formyl-5,6,7,8-tetrahydrofolic acid calcium salt

5-formyltetrahydrofolate(2-)

5-formyltetrahydrofolate; 5-formyltetrahydrofolate dianion

5-Formyltetrahydrofolate; 58-05-9; C03479; Folinic acid; L(-)-5-Formyl-5,6,7,8-tetrahydrofolic acid; Leucovorin

5-formyltetrahydrofolic acid

6035-45-6; D07987; Folinic acid calcium salt pentahydrate; Leucovorin (TN); Leucovorin calcium pentahydrate

6035-45-6; Folinic acid calcium salt; Prestwick_224

80433-71-2; Calcium levofolinate (INN); D04715; Fusilev (TN); Isovorin (TN); Levofolinate calcium (JAN); Levoleucovorin calcium (USAN)

Calcium folinate

Calcium Folinate (BAN

Calcium Folinate Hydrate

Calcium Levofolinate

Calcium Levofolinate (BAN

Calcium levofolinate (Calcium Folinate)

CHEBI:2057; CHEBI:18607; CHEBI:12127

CL-307782

Disodium folinate

Folinic acid

Folinic acid calcium salt

Folinic acid calcium salt hydrate, 98%

Folinic acid calcium salt pentahydrate

Folinic acid, calcium salt pentahydrate, 95.0-105.0%

INN

INN); Levoleucovorin Calcium (FDA

JAN); Folinic Acid (BAN); Leucovorin Calcium (FDA

JAN); Leucovorin Calcium (FDA

Leucovorin

Leucovorin calcium salt

LS-187159

MFCD00006704

MFCD00149463

MFCD00149465

MFCD00867488

MFCD11618008

N/A

N5-Formyl-THF

SS-7797

USAN)

USP)

USP); Folinic Acid (BAN)

WELLCOVERIN

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) -3.04 4.86 -126.36 6 14 -2 225 471.43 9 ↓
Lo Low (pH 4.5-6) -3.04 2.16 -83.91 7 14 -1 223 472.438 9 ↓
Lo Low (pH 4.5-6) -3.04 2.88 -72.52 7 14 -1 223 472.438 9 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 240 - 250 Acros Organics
Purity 97% Fluorochem
Therapy antianemic, antidote to folic acid antagonists SMDC MicroSource
UniProt Database Links ECFA1_LACC3; ECFA1_LEUMM; ECFA2_LACC3; ECFA2_LEUMM; ECFT_LACC3; ECFT_LEUMM; FOLC_MOUSE; FOLE_YEAST; FOLT_LACC3; FOLT_LEUMM; FTCD_CHICK; FTCD_DICDI; FTCD_HUMAN; FTCD_MOUSE; FTCD_PIG; FTCD_RAT; FTHC_SCHPO; FTHC_YEAST; GLYA_ECOLI; Y370_BUCBP; Y396_BUCAP; Y85 ChEBI
UniProt Database Links ECFA1_LACC3; ECFA1_LEUMM; ECFA2_LACC3; ECFA2_LEUMM; ECFT_LACC3; ECFT_LEUMM; FOLC_MOUSE; FOLT_LACC3; FOLT_LEUMM; FTCD_CHICK; FTCD_DICDI; FTCD_HUMAN; FTCD_MOUSE; FTCD_PIG; FTCD_RAT; FTHC_SCHPO; FTHC_YEAST; GLYA_ECOLI; Y370_BUCBP; Y396_BUCAP; Y858_HAEIN; YGF ChEBI
PUBCHEM_PATENT_ID EP0266042A2; EP0432441A1; EP0432441B1; EP0608002A1; EP0675719A1; EP0675719B1; EP1059354A2; US4584375; US4628090; US4959472; US5134235; US5334535; US5347005; US5389516; US5631131; US5800979; US5912251; US6008221; US6121195; US6127370; US6160116; WO19940144 IBM Patent Data
Patent Database Links EP1645276; WO2005065018 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DYR-1-E Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic Eukaryotes 2370 0.23 Binding ≤ 10μM
Z80874-1-O CEM (T-cell Leukemia) (cluster #1 Of 7), Other Other 740 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DYR_HUMAN P00374 Dihydrofolate Reductase, Human 2370 0.23 Binding ≤ 10μM
Z80874 Z80874 CEM (T-cell Leukemia) 740 0.25 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
E2F mediated regulation of DNA replication
G1/S-Specific Transcription
Metabolism of folate and pterines
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation

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