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SC-2001

CAT: 0013-GTR19196702-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196702-01Size:25 mg
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Description
SC-2001 is a small molecule MCL-1 inhibitor that induces apoptosis in breast cancer cells by blocking STAT3 phosphorylation via SHP-1 upregulation. It also overcomes STAT3-mediated sorafenib resistance in hepatocellular carcinoma through RFX-1/SHP-1 activation, as demonstrated in in vitro studies.
CAS Number
1383727-17-0
Field of Research
Cell Biology, Signal Transduction, Stem Cell & Developmental Biology
Smiles
C (C=1NC (C2=CC=3C (N2) =CC=C (Br) C3) =CC1OC) =C4C=CC=N4
Molecular Formula
C18H14BrN3O
Molecular Weight
368.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2E)-5-bromo-2-[(5Z)-4-methoxy-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]indole
CAS Number1383727-17-0
PubChem CID178202106
IUPAC Name(2E)-5-bromo-2-[(5Z)-4-methoxy-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]indole
Molecular FormulaC18H14BrN3O
Molecular Weight368.2
XLogP2.9
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity765
SMILES
COC\1=C/C(=C\2/C=C3C=C(C=CC3=N2)Br)/N/C1=C\C4=CC=CN4
InChI
InChI=1S/C18H14BrN3O/c1-23-18-10-16(22-17(18)9-13-3-2-6-20-13)15-8-11-7-12(19)4-5-14(11)21-15/h2-10,20,22H,1H3/b16-15+,17-9-
InChIKey
HQULZCASURMKEF-LVRQTRGPSA-N
Chemical Structure
2D Structure
2D structure of (2E)-5-bromo-2-[(5Z)-4-methoxy-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-ylidene]indole
CAS: 1383727-17-0
CID: 178202106
Formula: C18H14BrN3O
MW: 368.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.2
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass367.03202
Monoisotopic Mass367.03202
Topological Polar Surface Area49.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity765
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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