SAG 21k
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MedKoo CAT#: 574418

CAS#: 946002-48-8

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


Chemical Structure

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SAG 21k
CAS# 946002-48-8

Theoretical Analysis

MedKoo Cat#: 574418
Name: SAG 21k
CAS#: 946002-48-8
Chemical Formula: C29H28ClF2N3O2S
Exact Mass: 555.16
Molecular Weight: 556.070
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

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10mg USD 675 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:
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.

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
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. 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.

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1: Brunton et al (2009) Potent agonists of the Hedgehog signaling pathway. Bioorg.Med.Chem.Lett. 19 4308 PMID: 19500978