185413-30-3,MFCD02259571
Catalog No.:AA00ACEF

185413-30-3 | AF12198

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
99%
1 week  
$260.00   $182.00
- +
5mg
99%
1 week  
$662.00   $463.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00ACEF
Chemical Name:
AF12198
CAS Number:
185413-30-3
Molecular Formula:
C96H123N19O22
Molecular Weight:
1895.1179
MDL Number:
MFCD02259571
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1CCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C)CCC(=O)O)Cc1ccc(cc1)O)CCC(=O)N)Cc1ccc(cc1)O)C)C
Properties
Computed Properties
 
Complexity:
4200  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
15  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
137  
Hydrogen Bond Acceptor Count:
22  
Hydrogen Bond Donor Count:
20  
Isotope Atom Count:
0  
Rotatable Bond Count:
48  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.3  

Literature

Title: F Aimbire, et al. Low level laser therapy (LLLT) decreases pulmonary microvascular leakage, neutrophil influx and IL-1beta levels in airway and lung from rat subjected to LPS-induced inflammation. Inflammation

Title: A L Akeson, et al.AF12198, a novel low molecular weight antagonist, selectively binds the human type I interleukin (IL)-1 receptor and blocks in vivo responses to IL-1. J Biol Chem. 1996 Nov 29;271(48):30517-23.

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SDS
Tags:185413-30-3 Molecular Formula|185413-30-3 MDL|185413-30-3 SMILES|185413-30-3 AF12198
Catalog No.: AA00ACEF
185413-30-3,MFCD02259571
185413-30-3 | AF12198
Pack Size: 1mg
Purity: 99%
1 week
$260.00 $182.00
Pack Size: 5mg
Purity: 99%
1 week
$662.00 $463.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00ACEF
Chemical Name: AF12198
CAS Number: 185413-30-3
Molecular Formula: C96H123N19O22
Molecular Weight: 1895.1179
MDL Number: MFCD02259571
SMILES: CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1CCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C)CCC(=O)O)Cc1ccc(cc1)O)CCC(=O)N)Cc1ccc(cc1)O)C)C
Properties
Complexity: 4200  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 15  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 137  
Hydrogen Bond Acceptor Count: 22  
Hydrogen Bond Donor Count: 20  
Isotope Atom Count: 0  
Rotatable Bond Count: 48  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.3  
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