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YKL-5-124

CAT: 0013-GTR19172694-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172694-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
YKL-5-124 is a covalent, highly selective CDK7 inhibitor with an IC50 of 9.7 nM against the CDK7/Mat1/CycH complex, demonstrating over 130-fold selectivity versus CDK2 and CDK9. It is a valuable chemical probe for studying transcriptional regulation and cell cycle progression in cancer research models, both in vitro and in vivo.
CAS Number
1957203-01-8
Product Name Alternative
Inhibitor, irreversible, inhibit, arrest, covalent, CDK, CDK7/Mat1/CycH, CDK7/Cyclin H/MAT1, CDK7, cell-cycle, Cyclin dependent kinase, YKL5124, YKL-5-124, YKL 5 124, Pol-II, T-loop, phosphorylation, transcription
Field of Research
Cell Biology
Purity
99.36% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (9.7 mM) ; DMSO:220 mg/mL (426.68 mM)
Smiles
CN (C) C[C@@H] (NC (=O) N1Cc2c (NC (=O) c3ccc (NC (=O) C=C) cc3) n[nH]c2C1 (C) C) c1ccccc1
Molecular Formula
C28H33N7O3
Molecular Weight
515.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ykl-5-124

a highly selective covalent CDK7 inhibitor

CAS Number1957203-01-8
PubChem CID121443990
IUPAC NameN-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[[4-(prop-2-enoylamino)benzoyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
Molecular FormulaC28H33N7O3
Molecular Weight515.6
XLogP2
Topological Polar Surface Area122
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity865
SMILES
CC1(C2=C(CN1C(=O)N[C@H](CN(C)C)C3=CC=CC=C3)C(=NN2)NC(=O)C4=CC=C(C=C4)NC(=O)C=C)C
InChI
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
InChIKey
KPABJHHKKJIDGX-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of Ykl-5-124
CAS: 1957203-01-8
CID: 121443990
Formula: C28H33N7O3
MW: 515.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.6
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass515.26448794
Monoisotopic Mass515.26448794
Topological Polar Surface Area122 Ų
Heavy Atom Count38
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count1
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

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BA3764-25YKL-5-124
7157/5YKL 5-124
HY-101257B-01YKL-5-124 (TFA)
MBS5754140YKL-5-124 TFA
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