SELATOGREL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H39N6O8P
Molecular Weight	618.6184
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SELATOGREL

Structure Search

SMILES

CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(O)(O)=O)NC(=O)C2=NC(=NC(=C2)N3CC[C@@H](C3)OC)C4=CC=CC=C4

InChI

InChIKey=FYXHWMQPCJOJCH-GMAHTHKFSA-N

InChI=1S/C28H39N6O8P/c1-3-4-16-42-28(37)33-14-12-32(13-15-33)27(36)23(19-43(38,39)40)30-26(35)22-17-24(34-11-10-21(18-34)41-2)31-25(29-22)20-8-6-5-7-9-20/h5-9,17,21,23H,3-4,10-16,18-19H2,1-2H3,(H,30,35)(H2,38,39,40)/t21-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H39N6O8P
Molecular Weight	618.6184
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:29:46 UTC 2023` Edited by `admin` on `Sat Dec 16 10:29:46 UTC 2023`
Record UNII	6DPK7O4PR7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SELATOGREL

Official Name

English

1-PIPERAZINECARBOXYLIC ACID, 4-((2R)-2-(((6-((3S)-3-METHOXY-1-PYRROLIDINYL)-2-PHENYL-4-PYRIMIDINYL)CARBONYL)AMINO)-1-OXO-3-PHOSPHONOPROPYL)-, 1-BUTYL ESTER

Systematic Name

English

selatogrel [INN]

Common Name

English

4-((R)-2-((6-((S)-3-METHOXYPYRROLIDIN-1-YL)-2-PHENYLPYRIMIDINE-4-CARBONYL)AMINO)-3-PHOSPHONOPROPIONYL)PIPERAZINE-1-CARBOXYLIC ACID BUTYL ESTER

Systematic Name

English

ACT-246475

Code

English

Code System Code Type Description

PUBCHEM

59534142

Created by admin on Sat Dec 16 10:29:46 UTC 2023 , Edited by admin on Sat Dec 16 10:29:46 UTC 2023

PRIMARY

DRUG BANK

DB15163

Created by admin on Sat Dec 16 10:29:46 UTC 2023 , Edited by admin on Sat Dec 16 10:29:46 UTC 2023

PRIMARY

INN

10877

Created by admin on Sat Dec 16 10:29:46 UTC 2023 , Edited by admin on Sat Dec 16 10:29:46 UTC 2023

PRIMARY

SMS_ID

100000183604

Created by admin on Sat Dec 16 10:29:46 UTC 2023 , Edited by admin on Sat Dec 16 10:29:46 UTC 2023

PRIMARY

CAS

1159500-34-1

Created by admin on Sat Dec 16 10:29:46 UTC 2023 , Edited by admin on Sat Dec 16 10:29:46 UTC 2023

PRIMARY

NCI_THESAURUS

C166930

Created by admin on Sat Dec 16 10:29:46 UTC 2023 , Edited by admin on Sat Dec 16 10:29:46 UTC 2023

PRIMARY

FDA UNII

6DPK7O4PR7

Created by admin on Sat Dec 16 10:29:46 UTC 2023 , Edited by admin on Sat Dec 16 10:29:46 UTC 2023

PRIMARY

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Interaction Type:

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Scientific Literature

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					6DPK7O4PR7

ACTIVE MOIETY

Comments:

Official Title: A Single-center, Double-blind, Randomized, Placebo-controlled, Single-ascending Oral Dose and Food Interaction Study to Investigate the Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of ACT-281959 / ACT-246475 in Healthy Male Subjects Purpose: Study Part I is a single-ascending dose study. Healthy male subjects to be included in the study and randomized in 6 dose groups, Groups A-F (8 subjects per group). Of the 8 subjects per group, 6 subjects receive the investigational drug and 2 subjects receive matching placebo. Study Part II is a 3-period, crossover, single dose study. Nine healthy male subjects to be enrolled in one group (Group G). Each subject to receive 2 different formulations of the prodrug and one formulation of the active drug in a randomized sequence.

Amount: