Products for Research Use Only
RegisterLogin

CAP 3

CAT: 0804-HY-115693-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-115693-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
CAP 3 is a cholic acid-peptide conjugate (CAP) antimicrobial agent. CAP 3 effectively inhibits Gram-negative bacteria, with MIC99 (minimum inhibitory concentration for 99% bacterial killing) values of 8 μM, 16 μM, and 16 μM against E. coli, Klebsiella pneumoniae and Acinetobacter baumannii, respectively. CAP 3 exerts its antibacterial effects by disrupting the structural integrity of the bacterial lipopolysaccharide (LPS) outer membrane. CAP 3 rapidly kills bacteria, inhibits biofilm formation, and effectively combats drug-resistant strains and persistent bacterial infections[1].
CAS Number
2292123-03-4
UNSPSC
12352211
Target
Bacterial
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
CC(C)[C@H](N)C(NCC(O[C@H]1[C@]2([H])[C@@](C[C@@H]([C@]3([C@@]2([H])CC[C@]3([H])[C@H](C)CCC(OCC4=CC=CC=C4)=O)C)OC(CNC([C@@H](N)C(C)C)=O)=O)([H])[C@@]5([C@](C[C@@H](CC5)OC(CNC([C@@H](N)C(C)C)=O)=O)([H])C1)C)=O)=O
Molecular Formula
C52H82N6O11
Molecular Weight
967.24
References & Citations
[1]Yadav K, et al. Deciphering the Role of Intramolecular Networking in Cholic Acid-Peptide Conjugates on the Lipopolysaccharide Surface in Combating Gram-Negative Bacterial Infections. J Med Chem. 2019 Feb 28;62 (4) :1875-1886.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-(benzyloxy)-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triyl tris(2-((S)-2-amino-3-methylbutanamido)acetate)
CAS Number2292123-03-4
PubChem CID155527129
IUPAC Namebenzyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Molecular FormulaC52H82N6O11
Molecular Weight967.2
XLogP6.5
Topological Polar Surface Area271
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count25
Heavy Atom Count69
Formal Charge0
Complexity1810
SMILES
C[C@H](CCC(=O)OCC1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)OC(=O)CNC(=O)[C@H](C(C)C)N)C)OC(=O)CNC(=O)[C@H](C(C)C)N)OC(=O)CNC(=O)[C@H](C(C)C)N)C
InChI
InChI=1S/C52H82N6O11/c1-28(2)45(53)48(63)56-24-41(60)67-34-19-20-51(8)33(21-34)22-38(68-42(61)25-57-49(64)46(54)29(3)4)44-36-17-16-35(31(7)15-18-40(59)66-27-32-13-11-10-12-14-32)52(36,9)39(23-37(44)51)69-43(62)26-58-50(65)47(55)30(5)6/h10-14,28-31,33-39,44-47H,15-27,53-55H2,1-9H3,(H,56,63)(H,57,64)(H,58,65)/t31-,33+,34-,35-,36+,37+,38-,39+,44+,45+,46+,47+,51+,52-/m1/s1
InChIKey
XOMVHDKAGAIFOU-ZJADFBSCSA-N
Chemical Structure
2D Structure
2D structure of (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-(benzyloxy)-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triyl tris(2-((S)-2-amino-3-methylbutanamido)acetate)
CAS: 2292123-03-4
CID: 155527129
Formula: C52H82N6O11
MW: 967.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight967.2
XLogP36.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count25
Exact Mass966.60415745
Monoisotopic Mass966.60415745
Topological Polar Surface Area271 Ų
Heavy Atom Count69
Formal Charge0
Complexity1810
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-P991224-01CAP-100
HY-123702CAP-53194
HY-159855-01CAP 2 (hydrochloride)
HY-E0194-01Round Cap Drivers for 8-Channel Handheld Screw Cap Decapper
HY-163621Cap-dependent endonuclease-IN-28
HY-143776Cap-dependent endonuclease-IN-22
HY-144066Cap-dependent endonuclease-IN-21
HY-143755Cap-dependent endonuclease-IN-9
HY-144065Cap-dependent endonuclease-IN-19
HY-143775Cap-dependent endonuclease-IN-20

Alternative Products

CatalogName
TBI3024-25MGAc-Leu-Leu-Nle-CHO (ALLN), Calpain inhibitor
TBS10340-0.5MGInVivo Mouse IgG1 Isotype Control Antibody
TBS10338-0.5MGInVivo Anti-Mouse CD161/KLRB1/NK1.1 Antibody
TBS10336-1MGInVivoMAb Anti-Human Flt3 ligand/FLT3LG Antibody
TBS10334-0.5MGInVivo Anti-Human CDH17/Cadherin-17 Monoclonal Antibody
TBS10333-1MGInVivo Anti-Phosphotyrosine Monoclonal Antibody
TBS42064-100Clostridium butyricum qPCR Detection Kit
TBI5887-25MGRo 5-3335, RUNX1 inhibitor
TBI5778-5MGSBI-797812, NAMPT activator
TBI5468-25MGPyrintegrin, ß1-integrin agonist

Popular Products