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HG-9-91-01 25mg

CAT: 0628-A21004-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A21004-25Size:25 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 Number1456858-58-4
PubChem CID78357808
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
Molecular FormulaC32H37N7O3
Molecular Weight567.7
XLogP5.3
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity825
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
2D structure of HG-9-91-01
CAS: 1456858-58-4
CID: 78357808
Formula: C32H37N7O3
MW: 567.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.7
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass567.29578807
Monoisotopic Mass567.29578807
Topological Polar Surface Area95.1 Ų
Heavy Atom Count42
Formal Charge0
Complexity825
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-15776-01HG-9-91-01
BA8810-10HG-7-86-01
B1262-5HG-10-102-01

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