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Numidargistat

CAT: 0013-GTR19206320-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206320-02Size:50 mg
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Description
CB-1158 is a potent, orally bioavailable small molecule inhibitor of human arginase 1 and 2 (IC50 = 86 and 296 nM, respectively) . It is a valuable research tool for studying the role of arginase in immuno-oncology, fibrosis, and cardiovascular disease in both cellular assays and animal models.
CAS Number
2095732-06-0
Field of Research
Immunology & Inflammation
Smiles
C (O) (=O) [C@@]1 (N) [C@@H] (CCCB (O) O) CN (C ([C@H] (C) N) =O) C1
Molecular Formula
C11H22BN3O5
Molecular Weight
287.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Numidargistat

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.

CAS Number2095732-06-0
PubChem CID131801114
IUPAC Name(3R,4S)-3-amino-1-[(2S)-2-aminopropanoyl]-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
Molecular FormulaC11H22BN3O5
Molecular Weight287.12
Topological Polar Surface Area150
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity381
SMILES
B(CCC[C@H]1CN(C[C@]1(C(=O)O)N)C(=O)[C@H](C)N)(O)O
InChI
InChI=1S/C11H22BN3O5/c1-7(13)9(16)15-5-8(3-2-4-12(19)20)11(14,6-15)10(17)18/h7-8,19-20H,2-6,13-14H2,1H3,(H,17,18)/t7-,8-,11-/m0/s1
InChIKey
ZZJLMZYUGLJBSO-LAEOZQHASA-N
Chemical Structure
2D Structure
2D structure of Numidargistat
CAS: 2095732-06-0
CID: 131801114
Formula: C11H22BN3O5
MW: 287.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.12
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass287.1652510
Monoisotopic Mass287.1652510
Topological Polar Surface Area150 Ų
Heavy Atom Count20
Formal Charge0
Complexity381
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T10692L-01Numidargistat
HY-101979A-01Numidargistat (dihydrochloride)
T61336-01Numidargistat dihydrochloride
A16929-500Numidargistat (CB-1158) 500mg
A16929-50Numidargistat (CB-1158) 50mg
A16929-5Numidargistat (CB-1158) 5mg
A16929-10Numidargistat (CB-1158) 10mg
A16929-1Numidargistat (CB-1158) 1mg
A16929-100Numidargistat (CB-1158) 100mg
A16929-25Numidargistat (CB-1158) 25mg

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