PINOMETOSTAT

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H42N8O3
Molecular Weight	562.7063
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PINOMETOSTAT

Structure Search

SMILES

CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C(N)N=CN=C23)[C@@H]4C[C@H](CCC5=NC6=CC(=CC=C6N5)C(C)(C)C)C4

InChI

InChIKey=LXFOLMYKSYSZQS-LURJZOHASA-N

InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17-,19+,22-,25-,26-,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H42N8O3
Molecular Weight	562.7063
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:58:23 UTC 2023` Edited by `admin` on `Sat Dec 16 10:58:23 UTC 2023`
Record UNII	8V9YR09EF3
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PINOMETOSTAT

Official Name

English

Pinometostat [WHO-DD]

Common Name

English

EPZ-5676

Code

English

EPZ-005676

Code

English

9H-PURIN-6-AMINE, 9-(5-DEOXY-5-((CIS-3-(2-(6-(1,1-DIMETHYLETHYL)-1H-BENZIMIDAZOL-2-YL)ETHYL)CYCLOBUTYL)(1-METHYLETHYL)AMINO)-.BETA.-D-RIBOFURANOSYL)-

Common Name

English

PINOMETOSTAT ANHYDROUS

Common Name

English

pinometostat [INN]

Common Name

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/13/1231

Created by admin on Sat Dec 16 10:58:23 UTC 2023 , Edited by admin on Sat Dec 16 10:58:23 UTC 2023

FDA ORPHAN DRUG

857121

Created by admin on Sat Dec 16 10:58:23 UTC 2023 , Edited by admin on Sat Dec 16 10:58:23 UTC 2023

FDA ORPHAN DRUG

402113

Created by admin on Sat Dec 16 10:58:23 UTC 2023 , Edited by admin on Sat Dec 16 10:58:23 UTC 2023

FDA ORPHAN DRUG

402213

Created by admin on Sat Dec 16 10:58:23 UTC 2023 , Edited by admin on Sat Dec 16 10:58:23 UTC 2023

NCI_THESAURUS

C471

Created by admin on Sat Dec 16 10:58:23 UTC 2023 , Edited by admin on Sat Dec 16 10:58:23 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID20720950

Created by admin on Sat Dec 16 10:58:23 UTC 2023 , Edited by admin on Sat Dec 16 10:58:23 UTC 2023

PRIMARY

INN

9964

Created by admin on Sat Dec 16 10:58:23 UTC 2023 , Edited by admin on Sat Dec 16 10:58:23 UTC 2023

PRIMARY

DRUG BANK

DB12920

Created by admin on Sat Dec 16 10:58:23 UTC 2023 , Edited by admin on Sat Dec 16 10:58:23 UTC 2023

PRIMARY

CAS

1380288-87-8

Created by admin on Sat Dec 16 10:58:23 UTC 2023 , Edited by admin on Sat Dec 16 10:58:23 UTC 2023

PRIMARY

NCI_THESAURUS

C103179

Created by admin on Sat Dec 16 10:58:23 UTC 2023 , Edited by admin on Sat Dec 16 10:58:23 UTC 2023

PRIMARY

SMS_ID

300000006083

Created by admin on Sat Dec 16 10:58:23 UTC 2023 , Edited by admin on Sat Dec 16 10:58:23 UTC 2023

PRIMARY

FDA UNII

8V9YR09EF3

Created by admin on Sat Dec 16 10:58:23 UTC 2023 , Edited by admin on Sat Dec 16 10:58:23 UTC 2023

PRIMARY

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					XKJ4184POU

HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-79 SPECIFIC

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PINOMETOSTAT TRIHYDRATE

SOLVATE->ANHYDROUS

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					8V9YR09EF3

ACTIVE MOIETY