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ISS610

CAT: 0013-GTR19194245-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194245-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ISS610 is a potent and selective small molecule inhibitor of the STAT3 signaling pathway. It is widely used in biochemical and cellular research to investigate STAT3's role in oncology and immunology, demonstrating activity in both in vitro assays and in vivo model studies.
CAS Number
725233-55-6
Smiles
[C@@H] (CC1=CC=C (OP (=O) (O) O) C=C1) (NC (=O) C2=CC=C (C#N) C=C2) C (N[C@@H] (CC (C) C) C (O) =O) =O
Molecular Formula
C23H26N3O8P
Molecular Weight
503.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-2-[(2S)-2-[(4-cyanophenyl)formamido]-3-[4-(phosphonooxy)phenyl]propanamido]-4-methylpentanoic acid
CAS Number725233-55-6
PubChem CID9870708
IUPAC Name(2S)-2-[[(2S)-2-[(4-cyanobenzoyl)amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC23H26N3O8P
Molecular Weight503.4
XLogP1
Topological Polar Surface Area186
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count35
Formal Charge0
Complexity835
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C23H26N3O8P/c1-14(2)11-20(23(29)30)26-22(28)19(25-21(27)17-7-3-16(13-24)4-8-17)12-15-5-9-18(10-6-15)34-35(31,32)33/h3-10,14,19-20H,11-12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H2,31,32,33)/t19-,20-/m0/s1
InChIKey
HXSAWUQKNZJUNW-PMACEKPBSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-[(2S)-2-[(4-cyanophenyl)formamido]-3-[4-(phosphonooxy)phenyl]propanamido]-4-methylpentanoic acid
CAS: 725233-55-6
CID: 9870708
Formula: C23H26N3O8P
MW: 503.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.4
XLogP31
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass503.14575179
Monoisotopic Mass503.14575179
Topological Polar Surface Area186 Ų
Heavy Atom Count35
Formal Charge0
Complexity835
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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