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SANT-1

SANT-1 structure

CAS No:
304909-07-7
Formula:
C23H27N5
Chemical Name:
SANT-1
Synonyms:
N-[(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE]-4-(PHENYLMETHYL)-1-PIPERAZINAMINE;SANT-1;(4-Benzyl-piperazin-1-yl)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene)-amine;1-Piperazinamine, N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(phenylmethyl)-;(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine
Categories:
Biochemical Engineering > Inhibitors

Description

SANT-1 is a potent Smo antagonist, inhibits Hedgehog signaling, with IC50s of 20 nM and 30 nM in Shh-LIGHT2 and SmoA1-LIGHT2 assay, respectively[1].

1-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[4-(phenylmethyl)-1-piperazinyl]methanimine is a ring assembly and a member of pyrazoles.

SANT-1 Basic Attributes

Molecular Weight：

373.49

Exact Mass：

373.22700

NSC Number：

731871

DSSTox ID：

DTXSID90425965

Characteristics

PSA：

36.7

XLogP3：

4.2

Density：

1.13g/cm3

Melting Point：

104-106°C

Boiling Point：

547.363°C at 760 mmHg

Flash Point：

284.8ºC

Refractive Index：

1.623

Water Solubility：

Soluble in DMSO with warming

Storage Conditions：

−20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

SANT-1 Use and Manufacturing

A potent antagonist of the sonic hedgehog (Shh) signaling pathway (IC50=20nm inShh-LIGHT2 assay an d in Ptch1-/- cells) that acts by binding to smoothened (Smo: KD=1.2 nM), a distant relative of G protein-coupled receptors.In contrast to cyclopamine, SNAT-1 inhibits the activities of both wild type and oncogenic Smo with equal potency (IC50=30nm in SmoA1-LIGHT2 assay).

Computed Properties

Molecular Weight:373.5
XLogP3:4.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:373.22664588
Monoisotopic Mass:373.22664588
Topological Polar Surface Area:36.7
Heavy Atom Count:28
Complexity:489
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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SANT-1

CAS No.: 304909-07-7

Content: 98%

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