X-376

CAT: 0804-HY-16590-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-16590-01Size:2 mg

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Description

X-376 is a potent and highly specific ALK tyrosine kinase inhibitor (TKI) (IC50=0.61 nM) . X-376 is a less potent inhibitor of MET (IC50=0.69 nM) . X-376 displays potent anti-tumor activity[1].

CAS Number

1365267-27-1

UNSPSC

12352005

Hazard Statement

H302

Target

Anaplastic lymphoma kinase (ALK) ; c-Met/HGFR

Type

Reference compound

Related Pathways

Protein Tyrosine Kinase/RTK

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/Ensartinib.html

Purity

98.10

Solubility

DMSO : ≥ 37 mg/mL

Smiles

O=C(C1=NN=C(N)C(O[C@@H](C2=C(Cl)C=CC(F)=C2Cl)C)=C1)NC3=CC=C(C(N4CCN(C)CC4)=O)C=C3

Molecular Formula

C25H25Cl2FN6O3

Molecular Weight

547.41

Precautions

H302

References & Citations

[1]Lovly CM, et al. Insights into ALK-driven cancers revealed through development of novel ALK tyrosine kinaseinhibitors. Cancer Res. 2011 Jul 15;71 (14) :4920-31.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Phase 2

Chemical Information

X-396

X-376 is an inhibitor of the anaplastic lymphoma kinase (ALK) which can penetrate the blood brain barrier.

CAS Number	1365267-27-1
PubChem CID	56960447
IUPAC Name	6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridazine-3-carboxamide
Molecular Formula	C25H25Cl2FN6O3
Molecular Weight	547.4
XLogP	3.2
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	37
Formal Charge	0
Complexity	784

SMILES

C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=CC(=NN=C2N)C(=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(31-32-23(20)29)24(35)30-16-5-3-15(4-6-16)25(36)34-11-9-33(2)10-12-34/h3-8,13-14H,9-12H2,1-2H3,(H2,29,32)(H,30,35)/t14-/m1/s1

InChIKey

ONPGOSVDVDPBCY-CQSZACIVSA-N

Chemical Structure

2D Structure

CAS: 1365267-27-1

CID: 56960447

Formula: C25H25Cl2FN6O3

MW: 547.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	547.4
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	546.1349222
Monoisotopic Mass	546.1349222
Topological Polar Surface Area	114 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	784
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

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Alternative Products

Catalog	Name
C11955	X-376
A20971-100	X-376 100mg
A20971-50	X-376 50mg
A20971-25	X-376 25mg
A20971-1	X-376 1mg
A20971-2	X-376 2mg
A20971-10	X-376 10mg
A20971-5	X-376 5mg
A20971-10mM-D	X-376 10mM * 1mL in DMSO
T29746-01	AHR 376

X-376

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