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MC180295

CAT: 0957-S8809-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S8809-01Size:5 mg
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Description
MC180295 ((rel) -MC180295) is a novel potent and selective CDK9 inhibitor with an IC50 of 5 nM and is at least 22-fold more selective for CDK9 over other CDKs.
CAS Number
2237942-08-2
Synonyms
(rel) -MC180295
Target
CDK
Activity
Cell Cycle
Molecular Formula
C17H18N4O3S
Storage Conditions
3 years -20°C powder

Chemical Information

Methanone, (4-amino-2-((1R,2R,4S)-bicyclo(2.2.1)hept-2-ylamino)-5-thiazolyl)(2-nitrophenyl)-, rel-
CAS Number2237942-08-2
PubChem CID137333456
IUPAC Name[4-amino-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone
Molecular FormulaC17H18N4O3S
Molecular Weight358.4
XLogP4.7
Topological Polar Surface Area142
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity542
SMILES
C1C[C@H]2C[C@@H]1C[C@@H]2NC3=NC(=C(S3)C(=O)C4=CC=CC=C4[N+](=O)[O-])N
InChI
InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9-,10+,12+/m1/s1
InChIKey
JRNXAQINDCOHGS-SCVCMEIPSA-N
Chemical Structure
2D Structure
2D structure of Methanone, (4-amino-2-((1R,2R,4S)-bicyclo(2.2.1)hept-2-ylamino)-5-thiazolyl)(2-nitrophenyl)-, rel-
CAS: 2237942-08-2
CID: 137333456
Formula: C17H18N4O3S
MW: 358.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass358.10996162
Monoisotopic Mass358.10996162
Topological Polar Surface Area142 Ų
Heavy Atom Count25
Formal Charge0
Complexity542
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
BUP09124-01MC180295
A18892-25MC180295 25mg
A18892-1MC180295 1mg
A18892-100MC180295 100mg
A18892-200MC180295 200mg
A18892-50MC180295 50mg
A18892-10MC180295 10mg
A18892-5MC180295 5mg
A18892-10mM-DMC180295 10mM * 1mL in DMSO

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