Olverembatinib

CAT: 0127-BUP08359-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08359-01Size:2 mg

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CAS Number

1257628-77-5

Synonyms

GZD 824

Purity

=98%

Smiles

CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1

Chemical Information

Olverembatinib

HQP1351 is under investigation in clinical trial NCT03883100 (A Pivotal Study of HQP1351 in Patients of Chronic Myeloid Leukemia in Accelerated Phase With T315I Mutation).

CAS Number	1257628-77-5
PubChem CID	51038269
IUPAC Name	4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]benzamide
Molecular Formula	C29H27F3N6O
Molecular Weight	532.6
XLogP	4.6
Topological Polar Surface Area	77.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	39
Formal Charge	0
Complexity	910

SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CC5=C(NN=C5)N=C4

InChI

InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36)

InChIKey

TZKBVRDEOITLRB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1257628-77-5

CID: 51038269

Formula: C29H27F3N6O

MW: 532.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	532.6
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	532.21984399
Monoisotopic Mass	532.21984399
Topological Polar Surface Area	77.2 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	910
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
E7062	Olverembatinib
HY-15666R-01	Olverembatinib (Standard)
T2429-01	Olverembatinib dimesylate
HY-15666A-01	Olverembatinib (dimesylate)
407111	Olverembatinib (GZD824)
S7194-25mg	Olverembatinib (GZD824) dimesylate
A16264-2	Olverembatinib (GZD824) 2mg
A16264-1	Olverembatinib (GZD824) 1mg
A16264-100	Olverembatinib (GZD824) 100mg
A16264-25	Olverembatinib (GZD824) 25mg

Olverembatinib

Chemical Information

Alternative Products

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