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POP-3MB

CAT: 0013-GTR19234744-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234744-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
POP-3MB (compound 1b) is a potent ICMT inhibitor with an IC50 of 2.5 μM. It disrupts K-Ras membrane localization, suppresses Ras activation, and blocks downstream Erk phosphorylation. This tool compound is valuable for studying Ras-driven oncogenesis in both cellular and animal models of cancer.
CAS Number
1144114-27-1
Field of Research
Metabolism Research, Signal Transduction
Smiles
O (C1=C (C (N[C@@H] (CSCC=C (CCC2=CC=C (C=C2) C3=CC=CC=C3) CC=C (C) C) C (O) =O) =O) C=CC=C1) C4=CC=CC=C4
Molecular Formula
C38H39NO4S
Molecular Weight
605.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pop-3MB
CAS Number1144114-27-1
PubChem CID25230392
IUPAC Name(2R)-3-[(2Z)-6-methyl-3-[2-(4-phenylphenyl)ethyl]hepta-2,5-dienyl]sulfanyl-2-[(2-phenoxybenzoyl)amino]propanoic acid
Molecular FormulaC38H39NO4S
Molecular Weight605.8
XLogP9.5
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Heavy Atom Count44
Formal Charge0
Complexity923
SMILES
CC(=CC/C(=C\CSC[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1OC2=CC=CC=C2)/CCC3=CC=C(C=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C38H39NO4S/c1-28(2)17-18-30(20-19-29-21-23-32(24-22-29)31-11-5-3-6-12-31)25-26-44-27-35(38(41)42)39-37(40)34-15-9-10-16-36(34)43-33-13-7-4-8-14-33/h3-17,21-25,35H,18-20,26-27H2,1-2H3,(H,39,40)(H,41,42)/b30-25+/t35-/m0/s1
InChIKey
AHJGURHCLOZLFH-NBTOIDQYSA-N
Chemical Structure
2D Structure
2D structure of Pop-3MB
CAS: 1144114-27-1
CID: 25230392
Formula: C38H39NO4S
MW: 605.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.8
XLogP39.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Exact Mass605.25997990
Monoisotopic Mass605.25997990
Topological Polar Surface Area101 Ų
Heavy Atom Count44
Formal Charge0
Complexity923
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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