PKI-166

CAT: 0926-MHA72461-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-MHA72461-02Size:50 mg

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CAS Number

187724-61-4

MDL Number

MFCD09970842

Smiles

C[C@H] (C1=CC=CC=C1) NC2=NC=NC3=C2C=C (N3) C4=CC=C (C=C4) O

Molecular Formula

C20H18N4O

Molecular Weight

330.38 g/mol

Controlled

Chemical Information

Pki-166

EGFR/HER1/HER2 Inhibitor PKI166 is a pyrrolo-pyrimidine epidermal growth factor receptor (EGFR) protein kinase inhibitor with anti-tumor activity. PKI-166 reversibly inhibits HER1 and HER2 tyrosine kinases, belong to the epidermal growth factor receptor family, thereby inhibiting tumor growth and metastasis.

CAS Number	187724-61-4
PubChem CID	6918403
IUPAC Name	4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
Molecular Formula	C20H18N4O
Molecular Weight	330.4
XLogP	4.2
Topological Polar Surface Area	73.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	420

SMILES

C[C@H](C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)O

InChI

InChI=1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)23-19-17-11-18(24-20(17)22-12-21-19)15-7-9-16(25)10-8-15/h2-13,25H,1H3,(H2,21,22,23,24)/t13-/m1/s1

InChIKey

XRYJULCDUUATMC-CYBMUJFWSA-N

Chemical Structure

2D Structure

CAS: 187724-61-4

CID: 6918403

Formula: C20H18N4O

MW: 330.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	330.4
XLogP3	4.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	330.14806121
Monoisotopic Mass	330.14806121
Topological Polar Surface Area	73.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	420
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
FP108936-01	PKI-tide
YWB20481-01	PKI 402
FP65136-01	PKI 587
MZA52756-01	HZ-166
ZHB96141-01	JWH 166
ZDA53403-01	PKI (5-24)
FP164841-01	Pigment red 166
VAC-00894-01	[Ile161]MAGE-A2 (157-166)
PP51097	MAGE-A2 (157-166) scrambled
PP51093	Biotin-MAGE-A2 (157-166)

Alternative Products

Catalog	Name
GTR19203251-01	PKI-166
HY-110328	PKI-166 (hydrochloride)
T36643	PKI-166 hydrochloride
256278	PKI 166 hydrochloride
A8505-5	PKI-402
BA8711-5.1	PKI-179
5-01772	PKI-tide
329788-01	Pki alpha
345376-01	PKI β discontinued

PKI-166

Chemical Information

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