Products for Research Use Only
RegisterLogin

EGFR/HER2-IN-12

CAT: 0931-T86353-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T86353-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2237230-21-4
Target
EGFR
Related Pathways
Angiogenesis, JAK/STAT signaling, Tyrosine Kinase/Adaptors
Bioactivity
EGFR/HER2-IN-12 (compound 14b) serves as a dual inhibitor targeting EGFR and HER2, demonstrating 81% and 51% inhibition respectively at a concentration of 10 μM. This compound exhibits minimal toxicity towards A431 and MDA-MB-361 cancer cells [1].
Smiles
N(C1=C2C(SC(=C2)C3=CC=C(N(=O)=O)C=C3)=NC=N1)C4=CC(Cl)=C(OC5=CC(C)=CC=C5)C=C4
Molecular Formula
C25H17ClN4O3S
Molecular Weight
488.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Egfr/her2-IN-12
CAS Number2237230-21-4
PubChem CID145992216
IUPAC NameN-[3-chloro-4-(3-methylphenoxy)phenyl]-6-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
Molecular FormulaC25H17ClN4O3S
Molecular Weight488.9
XLogP7.4
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity692
SMILES
CC1=CC(=CC=C1)OC2=C(C=C(C=C2)NC3=C4C=C(SC4=NC=N3)C5=CC=C(C=C5)[N+](=O)[O-])Cl
InChI
InChI=1S/C25H17ClN4O3S/c1-15-3-2-4-19(11-15)33-22-10-7-17(12-21(22)26)29-24-20-13-23(34-25(20)28-14-27-24)16-5-8-18(9-6-16)30(31)32/h2-14H,1H3,(H,27,28,29)
InChIKey
CXNQMGSBTYPPQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Egfr/her2-IN-12
CAS: 2237230-21-4
CID: 145992216
Formula: C25H17ClN4O3S
MW: 488.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.9
XLogP37.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass488.0709893
Monoisotopic Mass488.0709893
Topological Polar Surface Area121 Ų
Heavy Atom Count34
Formal Charge0
Complexity692
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T210992-01EGFR/HER2-IN-19
T210989-01EGFR/HER2-IN-18
T207402-01EGFR/HER2-IN-17
T88221-01EGFR/HER2-IN-14
T89472-01EGFR/HER2-IN-16
T64254-01EGFR/HER2-IN-5
T72854-01EGFR/HER2-IN-9
T62487-01HER2-IN-12
T86352-01EGFR/HER2-IN-11
T86351-01EGFR/HER2-IN-10

Alternative Products

CatalogName
HY-160682EGFR/HER2-IN-12
HY-174841EGFR/HER2-IN-19
HY-174414EGFR/HER2-IN-18
HY-172623EGFR/HER2-IN-17
HY-161602EGFR/HER2-IN-13
MBS5806914EGFR/HER2-IN-5
MBS5803977EGFR/HER2-IN-7
GTR19185808-01EGFR/HER2-IN-2
GTR19185807-01EGFR/HER2-IN-3
GTR19235420-01EGFR/HER2-IN-10

Popular Products