MedKoo Cat#: 150040 | Name: SHR5428

Description:

WARNING: This product is for research use only, not for human or veterinary use.

SHR5428 is a selective and noncovalent inhibitor of CDK7. SHR5428 demonstrates highly potent CDK7 enzymatic activity and triple negative breast cancer cellular activity on MDA-MB-468 cell. SHR5428 also displays favorable pharmacokinetic properties in different preclinical species.

Chemical Structure

SHR5428
SHR5428
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 150040

Name: SHR5428

CAS#: N/A

Chemical Formula: C22H23F3N5O2P

Exact Mass: 477.1540

Molecular Weight: 477.43

Elemental Analysis: C, 55.35; H, 4.86; F, 11.94; N, 14.67; O, 6.70; P, 6.49

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
SHR5428; SHR 5428; SHR-5428;
IUPAC/Chemical Name
7-(Dimethylphosphoryl)-3-(2-(((1S,3S)-3-hydroxycyclohexyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)-1H-indole-6-carbonitrile
InChi Key
ADMNNQNUFZLRNL-KBPBESRZSA-N
InChi Code
1S/C22H23F3N5O2P/c1-33(2,32)20-12(9-26)6-7-15-16(10-27-19(15)20)18-17(22(23,24)25)11-28-21(30-18)29-13-4-3-5-14(31)8-13/h6-7,10-11,13-14,27,31H,3-5,8H2,1-2H3,(H,28,29,30)/t13-,14-/m0/s1
SMILES Code
N#CC1=C(P(C)(C)=O)C2=C(C=C1)C(C3=NC(N[C@@H]4C[C@@H](O)CCC4)=NC=C3C(F)(F)F)=CN2
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 477.43 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.

Recalculate based on batch purity %
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: Jia M, Wang W, Chen G, Wu T, Zhang T, Zhou Q, Yin J, Li J, Li X, Mao Y, Feng J, Hu M, Li X, He F. Discovery of SHR5428 as a selective and noncovalent inhibitor of CDK7. Bioorg Med Chem Lett. 2023 Sep 1;93:129429. doi: 10.1016/j.bmcl.2023.129429. Epub 2023 Aug 4. PMID: 37543274.