WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 574418
CAS#: 946002-48-8
Description: SAG 21k is a Hedgehog signaling activator that is orally bioavailable and brain penetrant.
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
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
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 |
1: Brunton et al (2009) Potent agonists of the Hedgehog signaling pathway. Bioorg.Med.Chem.Lett. 19 4308 PMID: 19500978
