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Merck

SML1314

SAG dihydrochloride

≥98% (HPLC), lyophilized solid, smoothened (Smo) agonist

Synonym(s):

3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]-benzo[b]thiophene-2-carboxamide dihydrochloride, Smoothened Agonist

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About This Item

Empirical Formula (Hill Notation):
C28H28ClN3OS · 2HCl
CAS Number:
912545-86-9
Molecular Weight:
562.98
UNSPSC Code:
51111800
PubChem Substance ID:
329825779
NACRES:
NA.77

Key Documents

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Product Name

SAG dihydrochloride, ≥98% (HPLC)

SMILES string

O=C(C1=C(Cl)C2=C(C=CC=C2)S1)N([C@@]3([H])CC[C@@](NC)([H])CC3)CC4=CC(C5=CC=NC=C5)=CC=C4

InChI

1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23-

InChI key

VFSUUTYAEQOIMW-YHBQERECSA-N

assay

≥98% (HPLC)

form

lyophilized solid

storage condition

desiccated

color

white to beige

solubility

H2O: 20 mg/mL, clear

storage temp.

−20°C

Quality Level

100

Related Categories

Application

Smoothened agonist (SAG) dihydrochloride has been used as a sonic hedgehog (SHH) pathway agonist:
  • to study its effects on mouse hippocampal cells
  • to determine its effects on the mitochondrial network in zebrafish embryo
  • to study its effects on murine embryonic fibroblasts

Biochem/physiol Actions

SAG is a potent and cell-permeable smoothened (Smo) agonist that activates Hedgehog pathway and counteracts Cyclopamine inhibition of Smo.
SAG is a potent and cell-permeable smoothened (Smo) agonist.

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301,H413

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Chronic 4

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

SML1314-5MG: + SML1314-VAR: + SML1314-1MG: + SML1314-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
0000397216
0000397216
0000202934
0000237250
0000237250

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Shirin Farheen et al.
Journal of biochemical and molecular toxicology, 37(2), e23241-e23241 (2022-10-08)
Glioma is a major brain tumor, and the associated mortality rate is very high. Contemporary therapies provide a chance of survival for 9-12 months. Therefore, a novel approach is essential to improve the survival rate. Sonic hedgehog (Shh) cell signaling
Lina Zhu et al.
PeerJ, 10, e13381-e13381 (2022-05-10)
Smoothened (SMO) protein is a member of the G protein-coupled receptor (GPCR) family that is involved in the Hedgehog (Hh) signaling pathway. It is a putative target for treating various cancers, including medulloblastoma and basal cell carcinoma (BCC). Characterizing membrane
Maike Marczenke et al.
Development (Cambridge, England), 148(21) (2021-10-27)
Growth arrest-specific 1 (GAS1) acts as a co-receptor to patched 1, promoting sonic hedgehog (SHH) signaling in the developing nervous system. GAS1 mutations in humans and animal models result in forebrain and craniofacial malformations, defects ascribed to a function for
Michaela Prochazkova et al.
Development (Cambridge, England), 144(12), 2212-2221 (2017-05-17)
The patterning of repeated structures is a major theme in developmental biology, and the inter-relationship between spacing and size of such structures is an unresolved issue. Fungiform papillae are repeated epithelial structures that house taste buds on the anterior tongue.
Alp Ozgun et al.
Materials today. Bio, 25, 100992-100992 (2024-02-19)
Modern in vitro technologies for preclinical research, including organ-on-a-chip, organoids- and assembloid-based systems, have rapidly emerged as pivotal tools for elucidating disease mechanisms and assessing the efficacy of putative therapeutics. In this context, advanced in vitro models of Parkinson's Disease
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