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St-2825

CAS No.:
894787-30-5
Catalog Number:
AG00GU6K
Molecular Formula:
C27H28Cl2N4O5S
Molecular Weight:
591.5060
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$648
- +
5mg
99%
1 week
United States
$2090
- +
10mg
99%
1 week
United States
$3150
- +
Product Description
Catalog Number:
AG00GU6K
Chemical Name:
St-2825
CAS Number:
894787-30-5
Molecular Formula:
C27H28Cl2N4O5S
Molecular Weight:
591.5060
MDL Number:
MFCD30207830
IUPAC Name:
(4R,7R,8aR)-1'-[2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetyl]-6-oxospiro[3,4,8,8a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazine-7,2'-pyrrolidine]-4-carboxamide
InChI:
InChI=1S/C27H28Cl2N4O5S/c28-17-4-7-21(19(29)13-17)38-15-22(34)31-18-5-2-16(3-6-18)12-23(35)32-10-1-9-27(32)14-24-33(26(27)37)20(25(30)36)8-11-39-24/h2-7,13,20,24H,1,8-12,14-15H2,(H2,30,36)(H,31,34)/t20-,24-,27-/m1/s1
InChI Key:
HBLHLJXFIPCEMW-ZJSFPPFMSA-N
SMILES:
O=C(Nc1ccc(cc1)CC(=O)N1CCCC21CC1N(C2=O)C(CCS1)C(=O)N)COc1ccc(cc1Cl)Cl
Properties
Complexity:
967  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
590.116g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
591.504g/mol
Monoisotopic Mass:
590.116g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Pivotal Advance: Inhibition of MyD88 dimerization and recruitment of IRAK1 and IRAK4 by a novel peptidomimetic compound. Journal of leukocyte biology 20071001
Properties