EGFR-IN-5

CAT: 0804-HY-111415-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-111415-01Size:5 mg

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Description

EGFR-IN-5 is a EGFR inhibitor with IC50s of 10.4, 1.1, 34, 7.2 nM for EGFR, EGFRL858R, EGFRL858R/T790M, and EGFRL858R/T790M/C797S, respectively.

CAS Number

2225887-26-1

UNSPSC

12352005

Hazard Statement

H302-H315-H319-H335

Target

EGFR

Type

Reference compound

Related Pathways

JAK/STAT Signaling; Protein Tyrosine Kinase/RTK

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/EGFR-IN-5.html

Purity

99.49

Solubility

DMSO : ≥ 100 mg/mL

Smiles

OCC(CC1)CCN1C2=NC(NC3=CC=C(F)C=C3)=NC(C=N4)=C2C=C4NC5=NC=C(N6CCC(N(C)C)CC6)C=C5

Molecular Formula

C31H38FN9O

Molecular Weight

571.69

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

References & Citations

[1]Zhang H, et al. Discovery of 2,4,6-trisubstitued pyrido[3,4-d]pyrimidine derivatives as new EGFR-TKIs. Eur J Med Chem. 2018 Mar 25;148:221-237.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

EGFR/ErbB1/HER1

Chemical Information

Egfr-IN-5

CAS Number	2225887-26-1
PubChem CID	134817166
IUPAC Name	[1-[6-[[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]amino]-2-(4-fluoroanilino)pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]methanol
Molecular Formula	C31H38FN9O
Molecular Weight	571.7
XLogP	4.8
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Heavy Atom Count	42
Formal Charge	0
Complexity	816

SMILES

CN(C)C1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C3)C(=NC(=N4)NC5=CC=C(C=C5)F)N6CCC(CC6)CO

InChI

InChI=1S/C31H38FN9O/c1-39(2)24-11-15-40(16-12-24)25-7-8-28(33-18-25)37-29-17-26-27(19-34-29)36-31(35-23-5-3-22(32)4-6-23)38-30(26)41-13-9-21(20-42)10-14-41/h3-8,17-19,21,24,42H,9-16,20H2,1-2H3,(H,33,34,37)(H,35,36,38)

InChIKey

DXOUQSZKEPSXBC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2225887-26-1

CID: 134817166

Formula: C31H38FN9O

MW: 571.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	571.7
XLogP3	4.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	571.31833503
Monoisotopic Mass	571.31833503
Topological Polar Surface Area	106 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	816
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

Related Products

Catalog	Name
HY-172156	EGFR-TK-IN-5
HY-172877	EGFR/BRAFV600E-IN-5
HY-172179	EGFR/VEGFR2-IN-5
HY-147994	EGFR/HER2-IN-5
HY-162482	EGFR kinase inhibitor 5
HY-158176	EGFR T790M/L858R-IN-5
HY-130616-01	EGFR-IN-11
HY-115716-01	EGFR-IN-17
HY-179143	EGFR-IN-185
HY-179039	EGFR-IN-183

Alternative Products

Catalog	Name
T11160-01	EGFR-IN-5
T205705-01	EGFR-TK-IN-5
T205483-01	EGFR/VEGFR2-IN-5
A20082-100	EGFR-IN-5 100mg
A20082-5	EGFR-IN-5 5mg
MBS5806914	EGFR/HER2-IN-5
A20082-50	EGFR-IN-5 50mg
A20082-10	EGFR-IN-5 10mg
T207705-01	EGFR/BRAFV600E-IN-5
A20082-25	EGFR-IN-5 25mg

EGFR-IN-5

Chemical Information

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