ARS-1630

CAT: 0127-BUP02403-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02403-03Size:25 mg

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CAS Number

1698055-86-5

Purity

=95%

Smiles

FC=1C2=C(C(=NC=N2)N3CCN(C(C=C)=O)CC3)C=C(Cl)C1C4=C(F)C=CC=C4O

Chemical Information

Ars-1620

ARS-1620 is a qinazoline derivative carrying chloro and fluoro substituents at positions 6 and 8 respectively, a 2-fluoro-6-hydroxyphenyl group at position 7, and a 4-(prop-2-enoyl)piperazin-1-yl group at position 4. A potent, selective, and orally bioavailable covalent KRAS-G12C inhibitor, it inhibits the protein coding gene KRAS (Kirsten rat sarcoma virus) with high potency in cells and animals. It has a role as an antiviral agent, an inhibitor and an antineoplastic agent.

CAS Number	1698055-86-5
PubChem CID	137003167
IUPAC Name	1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
Molecular Formula	C21H17ClF2N4O2
Molecular Weight	430.8
XLogP	4
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	30
Formal Charge	0
Complexity	636

SMILES

C=CC(=O)N1CCN(CC1)C2=NC=NC3=C(C(=C(C=C32)Cl)C4=C(C=CC=C4F)O)F

InChI

InChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2

InChIKey

ZRPZPNYZFSJUPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1698055-86-5

CID: 137003167

Formula: C21H17ClF2N4O2

MW: 430.8

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	430.8
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	430.1008098
Monoisotopic Mass	430.1008098
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	636
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

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BUP12311-01	SKLB-163
BUP09381-01	EM 163
BUP20894-01	SS-Interleukin I (163-171), human Acetate
BUP04379-01	JIP-1 (153-163) acetate (438567-88-5 free base)

Alternative Products

Catalog	Name
T10376-01	ARS-1630
A17061-25	ARS-1630 25mg
A17061-1	ARS-1630 1mg
A17061-100	ARS-1630 100mg
A17061-50	ARS-1630 50mg
A17061-10	ARS-1630 10mg
A17061-5	ARS-1630 5mg
A17061-10mM-D	ARS-1630 10mM * 1mL in DMSO
BA5766-5.1	ARS-1620
BA2894-5.1	ARS-853

ARS-1630

Chemical Information

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