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Pf-1022a

CAS No.:
133413-70-4
Catalog Number:
AG0080HV
Molecular Formula:
C52H76N4O12
Molecular Weight:
949.1794
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG0080HV
Chemical Name:
Pf-1022a
CAS Number:
133413-70-4
Molecular Formula:
C52H76N4O12
Molecular Weight:
949.1794
MDL Number:
MFCD00894026
IUPAC Name:
(3S,6R,9S,12R,15S,18R,21S,24R)-6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
InChI:
InChI=1S/C52H76N4O12/c1-31(2)25-39-49(61)65-35(9)45(57)53(11)42(28-34(7)8)52(64)68-44(30-38-23-19-16-20-24-38)48(60)56(14)40(26-32(3)4)50(62)66-36(10)46(58)54(12)41(27-33(5)6)51(63)67-43(47(59)55(39)13)29-37-21-17-15-18-22-37/h15-24,31-36,39-44H,25-30H2,1-14H3/t35-,36-,39+,40+,41+,42+,43-,44-/m1/s1
InChI Key:
YJNUXGPXJFAUQJ-LYWANRAQSA-N
SMILES:
CC(C[C@H]1C(=O)O[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C)CC(C)C)C)Cc1ccccc1)CC(C)C)C
EC Number:
444-350-6
Properties
Complexity:
1580  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
948.546g/mol
Formal Charge:
0
Heavy Atom Count:
68  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
949.196g/mol
Monoisotopic Mass:
948.546g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5  
Literature
Title Journal
Anthelmintic cyclcooctadepsipeptides: complex in structure and mode of action. Trends in parasitology 20120901
Efficacy of the cyclooctadepsipeptide PF1022A against Heligmosomoides bakeri in vitro and in vivo. Parasitology 20110801
Effects of the anthelmintic drug PF1022A on mammalian tissue and cells. Biochemical pharmacology 20090415
In vitro synthesis of new cyclodepsipeptides of the PF1022-type: probing the alpha-D-hydroxy acid tolerance of PF1022 synthetase. Chembiochem : a European journal of chemical biology 20090126
Influence of the cyclooctadepsipeptides PF1022A and PF1022E as natural products on the design of semi-synthetic anthelmintics such as emodepside. Parasitology research 20051001
Efficacy of two cyclooctadepsipeptides, PF1022A and emodepside, against anthelmintic-resistant nematodes in sheep and cattle. Parasitology 20050301
Para-position derivatives of fungal anthelmintic cyclodepsipeptides engineered with Streptomyces venezuelae antibiotic biosynthetic genes. Nature biotechnology 20040701
Cyclooctadepsipeptides--an anthelmintically active class of compounds exhibiting a novel mode of action. International journal of antimicrobial agents 20030901
Restricted conformation analogues of an anthelmintic cyclodepsipeptide. Journal of medicinal chemistry 20030522
Synthesis of anthelmintically active N-methylated amidoxime analogues of the cyclic octadepsipeptide PF1022A. Pest management science 20021201
Cyclooctadepsipeptides--a new class of anthelmintically active compounds. Parasitology research 20020601
Generation of a small library of cyclodepsipeptide PF1022A analogues using a cyclization-cleavage method with oxime resin. Bioorganic & medicinal chemistry letters 20020211
Synthesis and anthelmintic activity of thioamide analogues of cyclic octadepsipeptides such as PF1022A. Pest management science 20011101
Properties