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SB290157 trifluoroacetate

CAT: 0957-S8931-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S8931-01Size:5 mg
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Description
SB290157 trifluoroacetate (SB 290157 TFA) is a potent, competitive and selective antagonist of C3a receptor (C3aR) with IC50 of 200 nM for RBL-C3aR.
CAS Number
1140525-25-2
Target
Complement System
Activity
Immunology & Inflammation
Molecular Formula
C24H29F3N4O6
Storage Conditions
3 years -20°C powder

Chemical Information

SB290157 trifluoroacetate
CAS Number1140525-25-2
PubChem CID16760645
IUPAC Name(2S)-5-(diaminomethylideneamino)-2-[[2-(2,2-diphenylethoxy)acetyl]amino]pentanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC24H29F3N4O6
Molecular Weight526.5
Topological Polar Surface Area177
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count37
Formal Charge0
Complexity619
SMILES
C1=CC=C(C=C1)C(COCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C2=CC=CC=C2.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C22H28N4O4.C2HF3O2/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17;3-2(4,5)1(6)7/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25);(H,6,7)/t19-;/m0./s1
InChIKey
ZJRMPPVJAQWGEG-FYZYNONXSA-N
Chemical Structure
2D Structure
2D structure of SB290157 trifluoroacetate
CAS: 1140525-25-2
CID: 16760645
Formula: C24H29F3N4O6
MW: 526.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass526.20391914
Monoisotopic Mass526.20391914
Topological Polar Surface Area177 Ų
Heavy Atom Count37
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C13793-5mgSB290157 trifluoroacetate
HY-101502A-01SB290157 (trifluoroacetate)
A21347-10SB290157 trifluoroacetate 10mg
A21347-100SB290157 trifluoroacetate 100mg
A21347-50SB290157 trifluoroacetate 50mg
A21347-5SB290157 trifluoroacetate 5mg
HY-101502ARSB290157 (trifluoroacetate) (Standard)
A21347-25SB290157 trifluoroacetate 25mg
A21347-10mM-DSB290157 trifluoroacetate 10mM * 1mL in DMSO
A3244-100Bivalirudin Trifluoroacetate

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