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MC180295

CAT: 0013-GTR19162979-08Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162979-08Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MC180295 (MC-180295, MC 180295) is a novel potent, highly selective CDK9 inhibitor with IC50 of 5 nM, displays >22-fold selectivity over other CDKs; also shows high selectivity against a panel of 250 kinases at 1 uM; specificly inhibits the phosphorylation levels of Ser2 (pSer2) ; CDK9-mediated phosphorylation of BRG1 prevents it from being recruited to heterochromatin loci, while CDK9 inhibition allows BRG1 to remodel chromatin and alter gene expression; demonstrates broad anti-cancer activity in vitro and is effective in in vivo cancer models; also sensitize to anti-PD1 in vivo, increases the numbers of CD45+ immune cells and the percentages of CD3+ T cells and activates dendritic cells in the tumor environment, while not kill human T lymphocytes and did not affect the ratio of CD4 and CD8 T cells in vivo.
CAS Number
2237942-08-2
Product Name Alternative
MC-180295 | MC 180295
Purity
>98% (HPLC)
Solubility
DMSO : 100 mg/mL 279.01 mM
Smiles
O=C (C1=C (N) N=C (N[C@@H]2C (C3) CCC3C2) S1) C4=CC=CC=C4[N+] ([O-]) =O
Molecular Formula
C17H18N4O3S
Molecular Weight
358.416
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Rel- (4-amino-2- (((2S) -bicyclo[2.2.1]heptan-2-yl) amino) thiazol-5-yl) (2-nitrophenyl) methanone

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
Loading 3D structure...
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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