Capivasertib

CAT: 0127-BUP12094-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12094-01Size:5 mg

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CAS Number

1143532-39-1

Synonyms

AZD5363

Purity

=95%

Smiles

NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1

Chemical Information

Capivasertib

Capivasertib is an aminopiperidine that is piperidine substituted by 7H-pyrrolo[2,3-d]pyrimidin-4-yl, amino, and [(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]aminocarbonyl groups at positions 1, 4, and 4, respectively. It is a pan-AKT kinase inhibitor used in combination with fulvestrant for the treatment of adult patients with hormone receptor (HR)-positive, human epidermal growth factor receptor 2 (HER2)-negative, locally advanced or metastatic breast cancer with one or more PIK3CA/AKT1/PTEN-alterations. It has a role as an antineoplastic agent and an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a secondary carboxamide, a primary alcohol, a pyrrolopyrimidine, an aminopiperidine, a piperidinecarboxamide and a member of monochlorobenzenes.

CAS Number	1143532-39-1
PubChem CID	25227436
IUPAC Name	4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Molecular Formula	C21H25ClN6O2
Molecular Weight	428.9
XLogP	1.7
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	580

SMILES

C1CN(CCC1(C(=O)N[C@@H](CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4

InChI

InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1

InChIKey

JDUBGYFRJFOXQC-KRWDZBQOSA-N

Chemical Structure

2D Structure

CAS: 1143532-39-1

CID: 25227436

Formula: C21H25ClN6O2

MW: 428.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	428.9
XLogP3	1.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	428.1727518
Monoisotopic Mass	428.1727518
Topological Polar Surface Area	120 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	580
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
205669	Capivasertib
S8019-5mg	Capivasertib (AZD5363)
CS-O-59072	Capivasertib-d4
GTR19267048-01	(R) -Capivasertib
HY-15431R-01	Capivasertib (Standard)
AR-C05983-01	Capivasertib-d6
CS-O-64825	Capivasertib-d5
CS-O-60041	N-Nitroso Capivasertib
RM-C017603-01	Capivasertib Impurity 3
RM-C017604-01	Capivasertib Impurity 4

Capivasertib

Chemical Information

Alternative Products

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