EGFR-IN-109

CAT: 0804-HY-162360Size: 1 EachDry Ice: NoHazardous: No

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Description

EGFR-IN-109 (compound 4) is an EGFR inhibitor, with the IC50 values of 25.8 and 182.3 nM for EGFRWT and EGFRT790M, respectively. EGFR-IN-109 arrests the cancer cells’ growth at the G2/M phase and induces both early and late apoptosis. EGFR-IN-109 can be used in cancer research[1].

CAS Number

3019971-97-9

UNSPSC

12352005

Target

Apoptosis; Bcl-2 Family; Caspase; EGFR

Type

Reference compound

Related Pathways

Apoptosis; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/egfr-in-109.html

Solubility

10 mM in DMSO

Smiles

NNCC(NC1=O)=NC2=C1C3=C(S2)CC(C)CC3

Molecular Formula

C12H16N4OS

Molecular Weight

264.35

References & Citations

[1]Sobh EA, et al. Computer aided drug discovery (CADD) of a thieno[2,3-d]pyrimidine derivative as a new EGFR inhibitor targeting the ribose pocket. J Biomol Struct Dyn. 2024 Mar;42 (5) :2369-2391.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

Bax; Bcl-2; Caspase 3; Caspase 9; EGFR/ErbB1/HER1

Chemical Information

Egfr-IN-109

CAS Number	3019971-97-9
PubChem CID	171364479
IUPAC Name	2-(hydrazinylmethyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Molecular Formula	C12H16N4OS
Molecular Weight	264.35
XLogP	1.2
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	386

SMILES

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CNN

InChI

InChI=1S/C12H16N4OS/c1-6-2-3-7-8(4-6)18-12-10(7)11(17)15-9(16-12)5-14-13/h6,14H,2-5,13H2,1H3,(H,15,16,17)

InChIKey

BTDORBMZFOWMQU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3019971-97-9

CID: 171364479

Formula: C12H16N4OS

MW: 264.35

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	264.35
XLogP3	1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	264.10448232
Monoisotopic Mass	264.10448232
Topological Polar Surface Area	108 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	386
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-18619-01	YL-109
HY-11046A	KRP-109
HY-118833	RAC 109
HY-129603-01	SI-109
HY-19643	JTK-109
HY-15665-01	XMD17-109
HY-135307-01	SSF-109
HY-149092	Anticancer agent 109

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GTR19235411-01	EGFR-IN-109
A3942-5.1	XMD17-109
BA5827-10	ML-109
T12905-01	SI-109
T13902-01	SSF-109
T80643-01	BEBT-109
MBS5777403	JTK-109
8303010	JM 109
GTR19208081-01	DT-109
S6607-01	YL-109

EGFR-IN-109

Chemical Information

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