AST-1306

CAT: 1410-M10245-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1410-M10245-04Size:25 mg

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

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Description

AST-1306 is a novel irreversible inhibitor of EGFR and ErbB2 with IC50 of 0.5 nM and 3 nM, also effective in mutation EGFR T790M/L858R.

CAS Number

1050500-29-2

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

621.08

Molecular Formula

C31H26ClFN4O5S

Notes

Research use only, not for human use.

Receptor

EGFR| EGFR (T790M/L858R) | HER2/ErbB2| HER2/ErbB2| FLT1

Chemical Information

Allitinib tosylate

CAS Number	1050500-29-2
PubChem CID	25027665
IUPAC Name	N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide;4-methylbenzenesulfonic acid
Molecular Formula	C31H26ClFN4O5S
Molecular Weight	621.1
Topological Polar Surface Area	139
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Heavy Atom Count	43
Formal Charge	0
Complexity	847

SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

InChI

InChI=1S/C24H18ClFN4O2.C7H8O3S/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4-3-5-16(26)10-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30);2-5H,1H3,(H,8,9,10)

InChIKey

ZMUKJEHWLJBODV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1050500-29-2

CID: 25027665

Formula: C31H26ClFN4O5S

MW: 621.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	621.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	620.1296470
Monoisotopic Mass	620.1296470
Topological Polar Surface Area	139 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	847
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	2
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
M26869-01	CPSI-1306
M35941-01	UCM-1306
M37078-01	AST 7062601
M17556-01	AST 487
M12659-01	ONO-1301
M16340-01	AZD-1305
M13358-01	AT-130
M34341-01	NC-1300-B
M11012-01	GIBH-130
M10904-01	HA-130

Alternative Products

Catalog	Name
MBS384244-01	AST-1306
sc-364413	AST 1306
B1020-50	AST-1306 TsOH
A11155-50	AST-1306 50mg
A11155-5	AST-1306 5mg
A11155-1	AST-1306 1mg
A11155-100	AST-1306 100mg
A11155-25	AST-1306 25mg
A11155-10	AST-1306 10mg

AST-1306

Chemical Information

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