EGFR/HER2/CDK9-IN-2

CAT: 0931-T63357-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T63357-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1180924-34-8

Target

Others, EGFR, CDK

Related Pathways

JAK/STAT signaling, Cell Cycle/Checkpoint, Tyrosine Kinase/Adaptors, Others, Angiogenesis

Bioactivity

EGFR/HER2/CDK9-IN-2 are potent inhibitors of EGFR/HER2/CDK9, and they exhibited significant antitumor effects with IC50s of 145.35, 129.07 and 117.13 nM, respectively.

Smiles

C(CC1=CC=C(S(N)(=O)=O)C=C1)N2C(SCC3=CC=C(N(=O)=O)C=C3)=NC=4C(C2=O)=CC=CC4

Molecular Formula

C23H20N4O5S2

Molecular Weight

496.56

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Egfr/her2/cdk9-IN-2

CAS Number	1180924-34-8
PubChem CID	36982442
IUPAC Name	4-[2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide
Molecular Formula	C23H20N4O5S2
Molecular Weight	496.6
XLogP	3.7
Topological Polar Surface Area	172
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	34
Formal Charge	0
Complexity	869

SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C23H20N4O5S2/c24-34(31,32)19-11-7-16(8-12-19)13-14-26-22(28)20-3-1-2-4-21(20)25-23(26)33-15-17-5-9-18(10-6-17)27(29)30/h1-12H,13-15H2,(H2,24,31,32)

InChIKey

WQEFYEUNVFDIII-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1180924-34-8

CID: 36982442

Formula: C23H20N4O5S2

MW: 496.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	496.6
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	496.08751210
Monoisotopic Mass	496.08751210
Topological Polar Surface Area	172 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	869
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T63532-01	EGFR/HER2/TS-IN-2
T82493-01	EGFR/HER2/DHFR-IN-2
T210992-01	EGFR/HER2-IN-19
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Alternative Products

Catalog	Name
C8544-100	EGFR/HER2/CDK9-IN-2
C8543-50	EGFR/HER2/CDK9-IN-1
C8542-100	EGFR/HER2/CDK9-IN-3
GTR19185808-01	EGFR/HER2-IN-2
HY-149632	EGFR/HER2/DHFR-IN-2
HY-146239	EGFR/HER2/TS-IN-2
HY-174841	EGFR/HER2-IN-19
HY-174414	EGFR/HER2-IN-18
HY-172623	EGFR/HER2-IN-17

EGFR/HER2/CDK9-IN-2

Chemical Information

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