SAG 21k | CAS# 946002-48-8 | Hedgehog signaling activator

MedKoo Cat#: 574418 | Name: SAG 21k

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Description:

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

SAG 21k is a Hedgehog signaling activator that is orally bioavailable and brain penetrant.

Chemical Structure

SAG 21k

CAS#946002-48-8

Theoretical Analysis

MedKoo Cat#: 574418

Name: SAG 21k

CAS#: 946002-48-8

Chemical Formula: C29H28ClF2N3O2S

Exact Mass: 555.1559

Molecular Weight: 556.07

Elemental Analysis: C, 62.64; H, 5.08; Cl, 6.38; F, 6.83; N, 7.56; O, 5.75; S, 5.77

Price and Availability

Size	Price	Availability	Quantity
10mg	USD 675.00	2 Weeks

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Synonym

SAG 21k

IUPAC/Chemical Name

3-chloro-4,7-difluoro-N-(2-methoxy-5-(pyridin-4-yl)benzyl)-N-((1r,4r)-4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide

InChi Key

YVIFQUJDZSAFKG-MEMLXQNLSA-N

InChi Code

InChI=1S/C29H28ClF2N3O2S/c1-33-20-4-6-21(7-5-20)35(29(36)28-26(30)25-22(31)8-9-23(32)27(25)38-28)16-19-15-18(3-10-24(19)37-2)17-11-13-34-14-12-17/h3,8-15,20-21,33H,4-7,16H2,1-2H3/t20-,21-

SMILES Code

COC1=C(CN([C@@H]2CC[C@@H](NC)CC2)C(C3=C(Cl)C4=C(C(F)=CC=C4F)S3)=O)C=C(C5=CC=NC=C5)C=C1

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

SAG 21k is a potent Hedgehog signaling activator (EC50 = 0.4 nM) that is orally bioavailable and brain penetrant.

In vitro activity:

To be determined

In vivo activity:

In a murine femoral segmental defect nonunion model, SAG21k was administered systemically to stimulate chondrogenesis early in the bone repair process and was complemented by the use of IOX2 to promote hypoxia signaling-mediated endochondral bone formation. The treatment increased the expression of specific genes related to these pathways in chondrocyte cell lines and in defect tissues.This combined therapy facilitated increased bone formation within the critical-size segmental defect. Reference: J Orthop Res. 2023 Jul;41(7):1471-1481. https://pubmed.ncbi.nlm.nih.gov/36448182/

Preparing Stock Solutions

The following data is based on the product molecular weight 556.07 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

Formulation protocol:

1. Rundle CH, Gomez GA, Pourteymoor S, Mohan S. Sequential application of small molecule therapy enhances chondrogenesis and angiogenesis in murine segmental defect bone repair. J Orthop Res. 2023 Jul;41(7):1471-1481. doi: 10.1002/jor.25493. Epub 2022 Dec 23. PMID: 36448182; PMCID: PMC10506518.

In vitro protocol:

To be determined

In vivo protocol:

1: Brunton et al (2009) Potent agonists of the Hedgehog signaling pathway. Bioorg.Med.Chem.Lett. 19 4308 PMID: 19500978 2: Rundle CH, Gomez GA, Pourteymoor S, Mohan S. Sequential application of small molecule therapy enhances chondrogenesis and angiogenesis in murine segmental defect bone repair. J Orthop Res. 2023 Jul;41(7):1471-1481. doi: 10.1002/jor.25493. Epub 2022 Dec 23. PMID: 36448182; PMCID: PMC10506518.