HG-9-91-01 5mg

CAT: 0628-A21004-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A21004-5Size:5 mg

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CAS Number

1456858-58-4

Chemical Information

HG-9-91-01

HG-9-91-01 is a member of the class of phenylureas that is a potent inhibitor of salt-inducible kinase 2, a potential target protein for therapy in ovarian cancer. It has a role as a salt-inducible kinase 2 inhibitor and an antineoplastic agent. It is a member of phenylureas, an aminopyrimidine, a N-alkylpiperazine, a N-arylpiperazine, a secondary amino compound and a dimethoxybenzene.

CAS Number	1456858-58-4
PubChem CID	78357808
IUPAC Name	1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
Molecular Formula	C32H37N7O3
Molecular Weight	567.7
XLogP	5.3
Topological Polar Surface Area	95.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	42
Formal Charge	0
Complexity	825

SMILES

CC1=C(C(=CC=C1)C)NC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC=NC(=C3)NC4=CC=C(C=C4)N5CCN(CC5)C

InChI

InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)

InChIKey

UYUHRKLITDJEHB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1456858-58-4

CID: 78357808

Formula: C32H37N7O3

MW: 567.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	567.7
XLogP3	5.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	567.29578807
Monoisotopic Mass	567.29578807
Topological Polar Surface Area	95.1 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	825
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

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A21004-10	HG-9-91-01 10mg
A21004-50	HG-9-91-01 50mg
A21004-2	HG-9-91-01 2mg
A21004-1	HG-9-91-01 1mg
A21004-10mM-D	HG-9-91-01 10mM * 1mL in DMSO
A12919-5	HG-10-102-01 5mg
A12919-200	HG-10-102-01 200mg
A12919-50	HG-10-102-01 50mg

Alternative Products

Catalog	Name
HY-15776-01	HG-9-91-01
M20640-01	HG-10-102-01
BA8810-10	HG-7-86-01

HG-9-91-01 5mg

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