APC-3316 hydrochloride

CAT: 0931-T69182-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T69182-01Size:25 mg

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

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CAS Number

502960-92-1

Target

Others

Related Pathways

Others

Bioactivity

APC-3316 hydrochloride is a vinyl sulfone cysteine protease inhibitor and selective CCR4 antagonist.

Smiles

[C@H](CC1=CC=CC=C1)(C(N[C@@H](CCC2=CC=CC=C2)/C=C/S(=O)(=O)C3=CC=CC=C3)=O)NC(=O)N4CCN(C)CC4.Cl

Molecular Formula

C32H39ClN4O4S

Molecular Weight

611.19

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

APC-3316 hydrochloride

CAS Number	502960-92-1
PubChem CID	72941829
IUPAC Name	N-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpiperazine-1-carboxamide;hydrochloride
Molecular Formula	C32H39ClN4O4S
Molecular Weight	611.2
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Heavy Atom Count	42
Formal Charge	0
Complexity	939

SMILES

CN1CCN(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC3=CC=CC=C3)/C=C/S(=O)(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C32H38N4O4S.ClH/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29;/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38);1H/b24-19+;/t28-,30-;/m0./s1

InChIKey

LQWNIKXMCBIRLZ-WJFVNNBYSA-N

Chemical Structure

2D Structure

CAS: 502960-92-1

CID: 72941829

Formula: C32H39ClN4O4S

MW: 611.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	611.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	610.2380546
Monoisotopic Mass	610.2380546
Topological Polar Surface Area	107 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	939
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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MBS5811732	APC-3316 hydrochloride
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TR312300	HSPB2 Human shRNA Plasmid Kit (Locus ID 3316)
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APC-3316 hydrochloride

Chemical Information

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