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Longestin

CAT: 0013-GTR19239284-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239284-01Size:25 mg
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Description
Longestin is a phosphodiesterase inhibitor isolated from Streptomyces argenteolus, exhibiting antitrypanosomal properties. It is being studied for potential anti-amnesic applications, with research exploring its mechanisms in both in vitro enzymatic assays and in vivo cognitive function models.
CAS Number
131774-53-3
Field of Research
Infectious Disease & Virology, Metabolism Research
Smiles
C (O) [C@@]12[C@@]3 ([C@] (C) ([C@]4 ([C@] (CO) (CC3) OC=5C (C4) =C6C (=CC5) C (CCC (OC) =O) (O) OC6=O) [H]) CC[C@]1 ([C@@]7 (C) [C@] (CC2) ([C@]8 (C) [C@@] (CC7) ([C@@]9 (C) [C@] (C[C@H]8C) ([C@]%10 (C) [C@@] (CC9) ([C@] (C (O) =O) (C) [C@@H] (O[C@H]%11[C@H] (OC) [C@@H] (O) [C@H] (O) [C@@H] (C (O) =O) O%11) C[C@H]%10C) [H]) [H]) [H]) [H]) [H]) [H]
Molecular Formula
C61H88O17
Molecular Weight
1093.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Longestin

trypanocidal agent; isolated from Steptomyces argenteolus; inhibits brain calcium- and calmodulin-dependent cyclic nucleotide phosphodiesterase; structure given in first source

CAS Number131774-53-3
PubChem CID3081782
IUPAC Name11-(6-carboxy-4,5-dihydroxy-3-methoxyoxan-2-yl)oxy-32-hydroxy-22,26-bis(hydroxymethyl)-32-(3-methoxy-3-oxopropyl)-2,6,10,13,14,17,18,39-octamethyl-34-oxo-27,33-dioxadecacyclo[20.19.0.02,19.05,18.06,15.09,14.023,39.026,38.028,36.031,35]hentetraconta-28(36),29,31(35)-triene-10-carboxylic acid
Molecular FormulaC61H88O17
Molecular Weight1093.3
XLogP8.7
Topological Polar Surface Area265
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count11
Heavy Atom Count78
Formal Charge0
Complexity2390
SMILES
CC1CC2C(CCC3C2(C(CC(C3(C)C(=O)O)OC4C(C(C(C(O4)C(=O)O)O)O)OC)C)C)(C5C1(C6CCC7(C(C6(CC5)C)CCC8(C7CCC9(C8CC1=C(O9)C=CC2=C1C(=O)OC2(CCC(=O)OC)O)CO)C)CO)C)C
InChI
InChI=1S/C61H88O17/c1-30-25-40-54(4,21-15-39-57(40,7)31(2)26-42(58(39,8)52(70)71)75-51-48(74-10)46(66)45(65)47(76-51)49(67)68)35-13-19-53(3)36(56(30,35)6)16-22-59(28-62)37(53)14-20-55(5)38(59)17-23-60(29-63)41(55)27-32-34(77-60)12-11-33-44(32)50(69)78-61(33,72)24-18-43(64)73-9/h11-12,30-31,35-42,45-48,51,62-63,65-66,72H,13-29H2,1-10H3,(H,67,68)(H,70,71)
InChIKey
DBIAGVXGCNWASW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Longestin
CAS: 131774-53-3
CID: 3081782
Formula: C61H88O17
MW: 1093.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1093.3
XLogP38.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count11
Exact Mass1092.60215133
Monoisotopic Mass1092.60215133
Topological Polar Surface Area265 Ų
Heavy Atom Count78
Formal Charge0
Complexity2390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count24
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-126812Longestin

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