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LMD-A

CAT: 0013-GTR19211402-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211402-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LMD-A is a potent and selective small molecule antagonist of the CCR8 chemokine receptor. It is a valuable research tool for studying CCR8 function in immunological research, including in vitro assays and in vivo models of inflammation and cancer.
CAS Number
850330-77-7
Smiles
S (N[C@H]1[C@H] (C) CN (C ([C@H] (C) N) =O) CC1) (=O) (=O) C=2C3=C (C (NC (=O) C4=C (C) C=CC=C4) =CC=C3) C=CC2
Molecular Formula
C27H32N4O4S
Molecular Weight
508.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(5-(N-((3R,4R)-1-((S)-2-Aminopropanoyl)-3-methylpiperidin-4-yl)sulfamoyl)naphthalen-1-yl)-2-methylbenzamide
CAS Number850330-77-7
PubChem CID57564300
IUPAC NameN-[5-[[(3R,4R)-1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
Molecular FormulaC27H32N4O4S
Molecular Weight508.6
XLogP3.3
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity891
SMILES
C[C@@H]1CN(CC[C@H]1NS(=O)(=O)C2=CC=CC3=C2C=CC=C3NC(=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)29-24-12-6-11-22-21(24)10-7-13-25(22)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
SRORZPOYPBBNET-SELNLUPBSA-N
Chemical Structure
2D Structure
2D structure of N-(5-(N-((3R,4R)-1-((S)-2-Aminopropanoyl)-3-methylpiperidin-4-yl)sulfamoyl)naphthalen-1-yl)-2-methylbenzamide
CAS: 850330-77-7
CID: 57564300
Formula: C27H32N4O4S
MW: 508.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.6
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass508.21442669
Monoisotopic Mass508.21442669
Topological Polar Surface Area130 Ų
Heavy Atom Count36
Formal Charge0
Complexity891
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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