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MedKoo Cat#: 207040 | Name: Exicorilant HCl

Description:

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

Exicorilant (CORT125281) is discontinued

Chemical Structure

Exicorilant HCl
Exicorilant HCl
CAS#1781244-77-6

Theoretical Analysis

MedKoo Cat#: 207040

Name: Exicorilant HCl

CAS#: 1781244-77-6

Chemical Formula: C26H24ClF4N7O3S

Exact Mass: 589.1519

Molecular Weight: 626.03

Elemental Analysis: C, 49.88; H, 3.86; Cl, 5.66; F, 12.14; N, 15.66; O, 7.67; S, 5.12

Price and Availability

This product was removed for the commercial reasons.
Related CAS #
No Data
Synonym
Exicorilant; CORT125281; CORT-125281; CORT 125281;
IUPAC/Chemical Name
[(4aR,8aS)-1-(4-fluorophenyl)-6-(2-methyl-2H-1,2,3-triazole-4-sulfonyl)-1,4,5,6,7,8,8a,9-octahydro-4aHpyrazolo[3,4-g]isoquinolin-4a-yl][4-(trifluoromethyl)pyridin2-yl]methanone hydrochloride
InChi Key
HWHQHJLZCRTWEJ-AVBAWOQOSA-N
InChi Code
InChI=1S/C26H23F4N7O3S.ClH/c1-35-32-14-23(34-35)41(39,40)36-9-7-17-11-22-16(13-33-37(22)20-4-2-19(27)3-5-20)12-25(17,15-36)24(38)21-10-18(6-8-31-21)26(28,29)30;/h2-6,8,10,13-14,17H,7,9,11-12,15H2,1H3;1H/t17-,25-;/m0./s1
SMILES Code
O=C([C@]12CC3=C(N(C4=CC=C(F)C=C4)N=C3)C[C@]1([H])CCN(S(=O)(C5=NN(C)N=C5)=O)C2)C6=NC=CC(C(F)(F)F)=C6.[H]Cl
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
>3 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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 626.03 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

View History

YS 3643

YS 3643