Numidargistat
(3R,4S)-3-amino-1-[(2S)-2-aminopropanoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
Molecular Identity
Numidargistat
(3R,4S)-3-amino-1-[(2S)-2-aminopropanoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
PubChem CID: 131801114
Numidargistat is an aminopyrrolidine that is pyrrolidine substituted by (2S)-2-aminopropanoyl, amino, carboxy, and 3-boronopropyl groups at positions 1, 3, 3, and 4 (the 3R,4S-stereoisomer). It is a selective arginase inhibitor being developed by Calithera Biosciences for the treatment of solid tumours. It has a role as an EC 3.5.3.1 (arginase) inhibitor, an antineoplastic agent and an immunomodulator. It is a member of boronic acids, a N-acylpyrrolidine, a pyrrolidinecarboxylic acid, an aminopyrrolidine, a primary amino compound and an amino monocarboxylic acid.
2D Structure
Properties
C11H22BN3O5
Molecular Formula
287.12
Molecular Weight
g/mol
287.1653
Exact Mass
Da
150
TPSA
May have limited oral absorption
5
H-Bond Donors
7
H-Bond Acceptors
381
Complexity
SMILES
Canonical SMILES
SMILES: B(CCCC1CN(CC1(C(=O)O)N)C(=O)C(C)N)(O)OIsomeric SMILES
SMILES: B(CCC[C@H]1CN(C[C@]1(C(=O)O)N)C(=O)[C@H](C)N)(O)OSynonyms(20)
Numidargistat2095732-06-0CB-1158INCB001158INCB-001158Arginase inhibitor INCB001158IFD73D535A(3R,4S)-3-Amino-1-[(2S)-2-aminopropanoyl]-4-[3-(dihydroxyboranyl)propyl]pyrrolidine-3-carboxylic acidCB1158(3R,4S)-3-AMINO-1-((S)-2-AMINOPROPANOYL)-4-(3-BORONOPROPYL)PYRROLIDINE-3-CARBOXYLIC ACID(3R,4S)-3-amino-1-((2S)-2-aminopropanoyl)-4-(3-(dihydroxyboranyl)propyl)pyrrolidine-3-carboxylic acidRefChem:166961Numidargistat [USAN]Incb 001158UNII-IFD73D535A
Data from PubChem (NCBI)
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