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SC 53228

CAT: 0013-GTR19210035-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210035-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SC 53228 is a potent and selective small molecule antagonist of the leukotriene B4 (LTB4) receptor, BLT1. It is a valuable research tool for investigating the role of LTB4 in inflammatory processes, suitable for both in vitro binding assays and in vivo models of inflammation.
CAS Number
153633-01-3
Smiles
C (CC) C1=C2C (=CC=C1OCCCOC3=C (CC4CC4) C (OC) =C (C (NC) =O) C=C3) CC[C@@H] (CCC (O) =O) O2
Molecular Formula
C31H41NO7
Molecular Weight
539.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SC 53228
CAS Number153633-01-3
PubChem CID204058
IUPAC Name3-[(2S)-7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromen-2-yl]propanoic acid
Molecular FormulaC31H41NO7
Molecular Weight539.7
XLogP6.2
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Heavy Atom Count39
Formal Charge0
Complexity774
SMILES
CCCC1=C(C=CC2=C1O[C@@H](CC2)CCC(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)NC)OC)CC4CC4
InChI
InChI=1S/C31H41NO7/c1-4-6-23-26(14-10-21-9-11-22(39-29(21)23)12-16-28(33)34)37-17-5-18-38-27-15-13-24(31(35)32-2)30(36-3)25(27)19-20-7-8-20/h10,13-15,20,22H,4-9,11-12,16-19H2,1-3H3,(H,32,35)(H,33,34)/t22-/m0/s1
InChIKey
YWYUQSGYKDEAMJ-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of SC 53228
CAS: 153633-01-3
CID: 204058
Formula: C31H41NO7
MW: 539.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight539.7
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Exact Mass539.28830265
Monoisotopic Mass539.28830265
Topological Polar Surface Area103 Ų
Heavy Atom Count39
Formal Charge0
Complexity774
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5813019SC 53228
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