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Merck
CN

SML3039

YKL-5-124

≥98% (HPLC)

Synonym(s):

(S)-3-(4-acrylamidobenzamido)-N-(2-(dimethylamino)-1-phenylethyl)-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide, N-[(1S)-2-(Dimethylamino)-1-phenylethyl]-4,6-dihydro-6,6-dimethyl-3-[[4-[(1-oxo-2-propen-1-yl)amino]benzoyl]amino]-pyrrolo[3,4-c]pyrazole-5(1H)-carboxamide

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About This Item

Empirical Formula (Hill Notation):
C28H33N7O3
CAS Number:
1957203-01-8
Molecular Weight:
515.61
UNSPSC Code:
12352107
NACRES:
NA.77

Key Documents

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InChI

1S/C28H33N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h6-15,22H,1,16-17H2,2-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1

InChI key

KPABJHHKKJIDGX-JOCHJYFZSA-N

SMILES string

CN(C)C[C@@H](NC(N1CC(C(NC(C2=CC=C(NC(C=C)=O)C=C2)=O)=NN3)=C3C1(C)C)=O)C4=CC=CC=C4

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Quality Level

100

Related Categories

Biochem/physiol Actions

YKL-5-124 is a potent and highly selective covalent inhibitor of cyclin-dependent kinase 7 (CDK7) that induces cell cycle arrest at the G1/S transition.
potent and highly selective covalent inhibitor of cyclin-dependent kinase 7 (CDK7)

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000159806
0000159806
0000159805
0000156191
0000156191

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Calla M Olson et al.
Cell chemical biology, 26(6), 792-803 (2019-03-25)
Cyclin-dependent kinase 7 (CDK7) regulates both cell cycle and transcription, but its precise role remains elusive. We previously described THZ1, a CDK7 inhibitor, which dramatically inhibits superenhancer-associated gene expression. However, potent CDK12/13 off-target activity obscured CDK7s contribution to this phenotype.

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