BRD-9526 | CAS#1446352-30-2 | Sonic Hedgehog (Shh) inhibitor

MedKoo Cat#: 407816 | Name: BRD-9526

Description:

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

BRD-9526 is a potent and selective Sonic Hedgehog (Shh) inhibitor. The Hedgehog signaling pathway is involved in the development of multicellular organisms and, when deregulated, can contribute to certain cancers, among other diseases.

Chemical Structure

BRD-9526

CAS#1446352-30-2

Theoretical Analysis

MedKoo Cat#: 407816

Name: BRD-9526

CAS#: 1446352-30-2

Chemical Formula: C26H31Cl2N3O6S

Exact Mass: 583.1311

Molecular Weight: 584.51

Elemental Analysis: C, 53.43; H, 5.35; Cl, 12.13; N, 7.19; O, 16.42; S, 5.48

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

BRD-9526; BRD 9526; BRD9526.

IUPAC/Chemical Name

N-((2R,3S)-2-(((2,4-dichloro-N-methylphenyl)sulfonamido)methyl)-5-((R)-1-hydroxypropan-2-yl)-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-benzo[b][1,5]oxazocin-10-yl)cyclopropanecarboxamide

InChi Key

YBAHAAHRDXLORA-DMPWYTOCSA-N

InChi Code

InChI=1S/C26H31Cl2N3O6S/c1-15-12-31(16(2)14-32)26(34)19-5-4-6-21(29-25(33)17-7-8-17)24(19)37-22(15)13-30(3)38(35,36)23-10-9-18(27)11-20(23)28/h4-6,9-11,15-17,22,32H,7-8,12-14H2,1-3H3,(H,29,33)/t15-,16+,22-/m0/s1

SMILES Code

CN(S(=O)(C1=CC=C(Cl)C=C1Cl)=O)C[C@H]2[C@H](CN(C(C3=CC=CC(NC(C4CC4)=O)=C3O2)=O)[C@@H](CO)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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 584.51 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: Schaefer GI, Perez JR, Duvall JR, Stanton BZ, Shamji AF, Schreiber SL. Discovery of small-molecule modulators of the Sonic Hedgehog pathway. J Am Chem Soc. 2013 Jul 3;135(26):9675-80. doi: 10.1021/ja400034k. Epub 2013 Jun 25. PubMed PMID: 23725514; PubMed Central PMCID: PMC3703668.