WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 562113
CAS#: 1957202-71-9
Description: YKL-1-116 is a potent, selective and covalent inhibitor of CDK7.
MedKoo Cat#: 562113
Name: YKL-1-116
CAS#: 1957202-71-9
Chemical Formula: C34H38N8O3
Exact Mass: 606.3067
Molecular Weight: 606.73
Elemental Analysis: C, 67.31; H, 6.31; N, 18.47; O, 7.91
This product is not in stock, which may be available by custom synthesis.
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Synonym: YKL-1-116; YKL 1 116; YKL1116;
IUPAC/Chemical Name: (S)-3-((3-(4-Acrylamidobenzamido)phenyl)amino)-N-(2-(dimethylamino)-1-phenylethyl)-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide
InChi Key: VBYGXNURPHQSPG-MUUNZHRXSA-N
InChi Code: InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
SMILES Code: O=C(N(C1)C(C)(C)C2=C1C(NC3=CC=CC(NC(C4=CC=C(NC(C=C)=O)C=C4)=O)=C3)=NN2)N[C@@H](C5=CC=CC=C5)CN(C)C
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 606.73 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Kalan S, Amat R, Schachter MM, Kwiatkowski N, Abraham BJ, Liang Y, Zhang T, Olson CM, Larochelle S, Young RA, Gray NS, Fisher RP. Activation of the p53 Transcriptional Program Sensitizes Cancer Cells to Cdk7 Inhibitors. Cell Rep. 2017 Oct 10;21(2):467-481. doi: 10.1016/j.celrep.2017.09.056. PubMed PMID: 29020632; PubMed Central PMCID: PMC5687273.
