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MS39 , CAS No.M612087, Inhibitor of epidermal growth factor receptor

Item Number
M612087
Grouped product items
SKUSizeAvailabilityPrice Qty
M612087-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,334.90
M612087-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90
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epidermal growth factor receptor Inhibitor

Basic Description

Synonymscompound 6
Specifications & PurityMoligand™
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of epidermal growth factor receptor

Associated Targets(Human)

EGFR Tclin Epidermal growth factor receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-8 (47708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1299 (3248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCC827 (1172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H3255 (70 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

IUPAC Name (2S,4R)-1-((S)-2-(11-(4-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)piperazin-1-yl)-11-oxoundecanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
INCHI InChI=1S/C55H71ClFN9O7S/c1-36-50(74-35-61-36)38-18-16-37(17-19-38)32-58-53(70)45-29-40(67)33-66(45)54(71)51(55(2,3)4)63-48(68)14-11-9-7-6-8-10-12-15-49(69)65-25-23-64(24-26-65)22-13-27-73-47-30-41-44(31-46(47)72-5)59-34-60-52(41)62-39-20-21-43(57)42(56)28-39/h16-21,28,30-31,34-35,40,45,51,67H,6-15,22-27,29,32-33H2,1-5H3,(H,58,70)(H,63,68)(H,59,60,62)/t40-,45+,51-/m1/s1
InChi Key HLFLODKZIGYHNR-LTEFSYCBSA-N
Canonical SMILES COc1cc2ncnc(c2cc1OCCCN1CCN(CC1)C(=O)CCCCCCCCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)Nc1ccc(c(c1)Cl)F
Isomeric SMILES CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCC(=O)N4CCN(CC4)CCCOC5=C(C=C6C(=C5)C(=NC=N6)NC7=CC(=C(C=C7)F)Cl)OC)O
PubChem CID 145996533

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Related Documents

 SDS

 Specification Sheet

References

1. Cheng M, Yu X, Lu K, Xie L, Wang L, Meng F, Han X, Chen X, Liu J, Xiong Y et al..  (2020)  Discovery of Potent and Selective Epidermal Growth Factor Receptor (EGFR) Bifunctional Small-Molecule Degraders..  J Med Chem,  63  (3): (1216-1232).  [PMID:31895569] [10.1021/acs.jmedchem.9b01566]
2. Burslem GM, Smith BE, Lai AC, Jaime-Figueroa S, McQuaid DC, Bondeson DP, Toure M, Dong H, Qian Y, Wang J et al..  (2018)  The Advantages of Targeted Protein Degradation Over Inhibition: An RTK Case Study..  Cell Chem Biol,  25  (1): (67-77.e3).  [PMID:29129716] [10.1021/op500134e]

Solution Calculators

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