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MedKoo Cat#: 465517 | Name: SHR168442

Description:

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

SHR168442 is a novel RORγ antagonist with skin-restricted exposure for topical treatment of mild to moderate psoriasis

Chemical Structure

SHR168442
SHR168442
CAS#2382961-86-4

Theoretical Analysis

MedKoo Cat#: 465517

Name: SHR168442

CAS#: 2382961-86-4

Chemical Formula: C23H25Cl2F2N3O3S

Exact Mass: 531.0962

Molecular Weight: 532.43

Elemental Analysis: C, 51.89; H, 4.73; Cl, 13.32; F, 7.14; N, 7.89; O, 9.01; S, 6.02

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.
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Related CAS #
No Data
Synonym
SHR168442; SHR 168442 SHR-168442;
IUPAC/Chemical Name
(S)-3-(4,6-dichloro-5-(4,4-difluoropiperidin-1-yl)-1H-benzo[d]imidazol-2-yl)-3-(4-(ethylsulfonyl)phenyl)propan-1-ol
InChi Key
QZTWILLBUTYUEF-INIZCTEOSA-N
InChi Code
InChI=1S/C23H25Cl2F2N3O3S/c1-2-34(32,33)15-5-3-14(4-6-15)16(7-12-31)22-28-18-13-17(24)21(19(25)20(18)29-22)30-10-8-23(26,27)9-11-30/h3-6,13,16,31H,2,7-12H2,1H3,(H,28,29)/t16-/m0/s1
SMILES Code
OCC[C@H](C1=NC2=C(Cl)C(N3CCC(F)(F)CC3)=C(Cl)C=C2N1)C4=CC=C(S(=O)(CC)=O)C=C4
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
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 532.43 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: Liu S, Liu D, Shen R, Li D, Hu Q, Yan Y, Sun J, Zhang F, Wan H, Dong P, Feng J, Zhang R, Li J, Zhang L, Tao W. Discovery of a novel RORγ antagonist with skin-restricted exposure for topical treatment of mild to moderate psoriasis. Sci Rep. 2021 Apr 28;11(1):9132. doi: 10.1038/s41598-021-88492-1. PMID: 33911101; PMCID: PMC8080595.