Products for Research Use Only
RegisterLogin

MS39N

CAT: 0931-T208656-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T208656-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2675490-96-5
Target
EGFR
Related Pathways
JAK/STAT signaling, Angiogenesis, Tyrosine Kinase/Adaptors
Bioactivity
MS39N (compound 27) serves as the negative control for MS39, capable of binding to EGFR without causing its degradation.
Smiles
N(C=1C2=C(C=C(OC)C(OCCCN3CCN(C(CCCCCCCCCC(N[C@H](C(=O)N4[C@@H](C(NCC5=CC=C(C=C5)C=6SC=NC6C)=O)C[C@H](O)C4)[C@@](C)(C)C)=O)=O)CC3)=C2)N=CN1)C7=CC(Cl)=C(F)C=C7
Molecular Formula
C55H71ClFN9O7S
Molecular Weight
1056.73
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2R,4S)-1-[(2S)-2-[[11-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-11-oxoundecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CAS Number2675490-96-5
PubChem CID155565089
IUPAC Name(2R,4S)-1-[(2S)-2-[[11-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-11-oxoundecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC55H71ClFN9O7S
Molecular Weight1056.7
XLogP9.1
Topological Polar Surface Area220
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count25
Heavy Atom Count74
Formal Charge0
Complexity1760
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
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+/m0/s1
InChIKey
HLFLODKZIGYHNR-YFXVFWABSA-N
Chemical Structure
2D Structure
2D structure of (2R,4S)-1-[(2S)-2-[[11-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-11-oxoundecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CAS: 2675490-96-5
CID: 155565089
Formula: C55H71ClFN9O7S
MW: 1056.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1056.7
XLogP39.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count25
Exact Mass1055.4869727
Monoisotopic Mass1055.4869727
Topological Polar Surface Area220 Ų
Heavy Atom Count74
Formal Charge0
Complexity1760
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-157582-01MS39N

Popular Products