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B 581

CAT: 0013-GTR19203002-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203002-01Size:500 µg
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Description
B 581 is a selective farnesylation inhibitor. It is a valuable research tool for studying protein prenylation in cellular and biochemical assays, with applications in cancer and cardiovascular disease research. Its mechanism has been explored in both in vitro and in vivo experimental models.
CAS Number
149759-96-6
Field of Research
Metabolism Research
Smiles
[C@H] (CC1=CC=CC=C1) (C (N[C@@H] (CCSC) C (O) =O) =O) NC[C@@H] (NC[C@H] (CS) N) [C@@H] (C) C
Molecular Formula
C22H38N4O3S2
Molecular Weight
470.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

FTase inhibitor I

B 581 is a dipeptide obtained from the tetrapeptide Cys-Val-Phe-Met by reduction of the amide carbonyl groups of the Cys and Val residues. It has a role as a peptidomimetic and an EC 2.5.1.58 (protein farnesyltransferase) inhibitor.

CAS Number149759-96-6
PubChem CID132887
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylbutyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
Molecular FormulaC22H38N4O3S2
Molecular Weight470.7
XLogP-0.1
Topological Polar Surface Area143
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Heavy Atom Count31
Formal Charge0
Complexity519
SMILES
CC(C)[C@@H](CN[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)O)NC[C@H](CS)N
InChI
InChI=1S/C22H38N4O3S2/c1-15(2)20(24-12-17(23)14-30)13-25-19(11-16-7-5-4-6-8-16)21(27)26-18(22(28)29)9-10-31-3/h4-8,15,17-20,24-25,30H,9-14,23H2,1-3H3,(H,26,27)(H,28,29)/t17-,18+,19+,20-/m1/s1
InChIKey
QISLMXIYRQCLIR-FUMNGEBKSA-N
Chemical Structure
2D Structure
2D structure of FTase inhibitor I
CAS: 149759-96-6
CID: 132887
Formula: C22H38N4O3S2
MW: 470.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.7
XLogP3-0.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Exact Mass470.23853343
Monoisotopic Mass470.23853343
Topological Polar Surface Area143 Ų
Heavy Atom Count31
Formal Charge0
Complexity519
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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