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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H69N5O11
Molecular Weight 844.0456
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ABT-281

SMILES

[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CC)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]4CC[C@@H]([C@@H](C4)OC)N5C=NN=N5

InChI

InChIKey=HIEKJRVYXXINKH-ADVKXBNGSA-N
InChI=1S/C44H69N5O11/c1-10-31-18-25(2)17-26(3)19-37(57-8)40-38(58-9)21-28(5)44(55,60-40)41(52)42(53)48-16-12-11-13-33(48)43(54)59-39(29(6)34(50)23-35(31)51)27(4)20-30-14-15-32(36(22-30)56-7)49-24-45-46-47-49/h18,20,24,26,28-34,36-40,50,55H,10-17,19,21-23H2,1-9H3/b25-18+,27-20+/t26-,28+,29+,30-,31+,32-,33-,34-,36+,37-,38-,39+,40+,44+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ABT-281
Common Name English
A-86281
Common Name English
ASCROLIMUS
Common Name English
Code System Code Type Description
WEB RESOURCE
ABT-281
Created by admin on Sat Dec 16 10:27:41 GMT 2023 , Edited by admin on Sat Dec 16 10:27:41 GMT 2023
PRIMARY ABT-281 was found to have a shorter duration of action after i.v. dosing in monkeys using an ex vivo whole blood IL-2 production assay. Systemic potency was reduced by 30-fold or more in rat popliteal lymph node hyperplasia and contact hypersensitivity assays. Following i.v. or i.p. administration in the swine contact hypersensitivity model, ABT-281 was 19- and 61-fold less potent, respectively, than FK506. Pharmacokinetic studies showed that ABT-281 had a shorter half life and higher rate of clearance than FK506 in all three species.
PUBCHEM
9919023
Created by admin on Sat Dec 16 10:27:41 GMT 2023 , Edited by admin on Sat Dec 16 10:27:41 GMT 2023
PRIMARY
CAS
148147-65-3
Created by admin on Sat Dec 16 10:27:41 GMT 2023 , Edited by admin on Sat Dec 16 10:27:41 GMT 2023
PRIMARY
FDA UNII
VE47C8J10O
Created by admin on Sat Dec 16 10:27:41 GMT 2023 , Edited by admin on Sat Dec 16 10:27:41 GMT 2023
PRIMARY