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ICSN3250

CAT: 1410-M12223-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M12223-02Size:5 mg
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Description
ICSN3250 (ICSN-3250) is a halitulin-analogue that acts as a new-class, specific mTOR inhibitor through a mechanism distinct from previous mTOR inhibitors.
CAS Number
1561902-73-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
596.681
Molecular Formula
C31H40N4O8
Notes
Research use only, not for human use.
Receptor
MTOR

Chemical Information

5,5'-(1-(3-(Azacyclotridecan-1-yl)propyl)-1H-pyrrole-3,4-diyl)bis(3-nitrobenzene-1,2-diol)
CAS Number1561902-73-5
PubChem CID73602840
IUPAC Name5-[1-[3-(azacyclotridec-1-yl)propyl]-4-(3,4-dihydroxy-5-nitrophenyl)pyrrol-3-yl]-3-nitrobenzene-1,2-diol
Molecular FormulaC31H40N4O8
Molecular Weight596.7
XLogP8
Topological Polar Surface Area181
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count43
Formal Charge0
Complexity808
SMILES
C1CCCCCCN(CCCCC1)CCCN2C=C(C(=C2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-])C4=CC(=C(C(=C4)O)O)[N+](=O)[O-]
InChI
InChI=1S/C31H40N4O8/c36-28-18-22(16-26(30(28)38)34(40)41)24-20-33(21-25(24)23-17-27(35(42)43)31(39)29(37)19-23)15-11-14-32-12-9-7-5-3-1-2-4-6-8-10-13-32/h16-21,36-39H,1-15H2
InChIKey
POQWZGBUVXRKIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,5'-(1-(3-(Azacyclotridecan-1-yl)propyl)-1H-pyrrole-3,4-diyl)bis(3-nitrobenzene-1,2-diol)
CAS: 1561902-73-5
CID: 73602840
Formula: C31H40N4O8
MW: 596.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.7
XLogP38
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass596.28461425
Monoisotopic Mass596.28461425
Topological Polar Surface Area181 Ų
Heavy Atom Count43
Formal Charge0
Complexity808
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3602223-01ICSN3250
HY-112774A-01ICSN3250 (hydrochloride)
MBS3602224ICSN3250 hydrochloride
T70442L-01ICSN3250 HCl

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