ML 604086

CAT: 1410-M16173-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1410-M16173-05Size:50 mg

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

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Description

ML 604086 (ML604086) is a potent, selective CCR8 inhibitor that inhibits CCL1 mediated chemotaxis and increases in intracellular Ca2+ concentrations with IC50 of 1.3 uM and 1.0 uM respectively in cellular assays.

CAS Number

850330-18-6

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

508.637

Molecular Formula

C27H32N4O4S

Notes

Research use only, not for human use.

Receptor

Chemokine Receptor

Chemical Information

Piperidinyl]amino]sulfonyl]-1-naphthalenyl]-2-methyl-

CAS Number	850330-18-6
PubChem CID	57564362
IUPAC Name	N-[4-[[(3R,4R)-1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
Molecular Formula	C27H32N4O4S
Molecular Weight	508.6
XLogP	3.3
Topological Polar Surface Area	130
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	36
Formal Charge	0
Complexity	891

SMILES

C[C@@H]1CN(CC[C@H]1NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)NC(=O)C4=CC=CC=C4C)C(=O)[C@H](C)N

InChI

InChI=1S/C27H32N4O4S/c1-17-8-4-5-9-20(17)26(32)29-24-12-13-25(22-11-7-6-10-21(22)24)36(34,35)30-23-14-15-31(16-18(23)2)27(33)19(3)28/h4-13,18-19,23,30H,14-16,28H2,1-3H3,(H,29,32)/t18-,19+,23-/m1/s1

InChIKey

FABRBEGQMXBELT-SELNLUPBSA-N

Chemical Structure

2D Structure

CAS: 850330-18-6

CID: 57564362

Formula: C27H32N4O4S

MW: 508.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	508.6
XLogP3	3.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	508.21442669
Monoisotopic Mass	508.21442669
Topological Polar Surface Area	130 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	891
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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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Catalog	Name
MBS3606170-01	ML 604086

ML 604086

Chemical Information

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