MedKoo Cat#: 526191 | Name: SCH-451659

Description:

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

SCH-451659 is an inhibitor of 17β-hydroxysteroid dehydrogenases (17β-HSDs).

Chemical Structure

SCH-451659
SCH-451659
CAS#502628-66-2

Theoretical Analysis

MedKoo Cat#: 526191

Name: SCH-451659

CAS#: 502628-66-2

Chemical Formula: C30H39Cl2N3O2

Exact Mass: 543.2419

Molecular Weight: 544.56

Elemental Analysis: C, 66.17; H, 7.22; Cl, 13.02; N, 7.72; O, 5.88

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
SCH-451659
IUPAC/Chemical Name
2-(1-Acetyl-4-piperidinyl)-1-[(2S)-4-[bis(4-chlorophenyl)methyl]-2-(1,1-dimethylethyl)-1-piperazinyl]-ethanone
InChi Key
AEDJOEAGMKHNID-HHHXNRCGSA-N
InChi Code
InChI=1S/C30H39Cl2N3O2/c1-21(36)33-15-13-22(14-16-33)19-28(37)35-18-17-34(20-27(35)30(2,3)4)29(23-5-9-25(31)10-6-23)24-7-11-26(32)12-8-24/h5-12,22,27,29H,13-20H2,1-4H3/t27-/m1/s1
SMILES Code
CC([C@@H]1N(C(CC2CCN(C(C)=O)CC2)=O)CCN(C(C3=CC=C(Cl)C=C3)C4=CC=C(Cl)C=C4)C1)(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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 544.56 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: Day JM, Foster PA, Tutill HJ, Schmidlin F, Sharland CM, Hargrave JD, Vicker N, Potter BV, Reed MJ, Purohit A. STX2171, a 17β-hydroxysteroid dehydrogenase type 3 inhibitor, is efficacious in vivo in a novel hormone-dependent prostate cancer model. Endocr Relat Cancer. 2013 Feb 18;20(1):53-64. doi: 10.1530/ERC-12-0231. Print 2013 Feb. PubMed PMID: 23132791.