Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C50H86O35P4 |
| Molecular Weight | 1371.0919 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCCCCCO[C@@H]1[C@H](OC(=O)CCC)[C@H](OP(=O)(OCOC(=O)CC)OCOC(=O)CC)[C@@H](OP(=O)(OCOC(=O)CC)OCOC(=O)CC)[C@H](OP(=O)(OCOC(=O)CC)OCOC(=O)CC)[C@H]1OP(=O)(OCOC(=O)CC)OCOC(=O)CC
InChI
InChIKey=SVJGGWZOTSJMCQ-RMTIMQEASA-N
InChI=1S/C50H86O35P4/c1-11-21-22-23-24-25-27-64-45-46(81-44(59)26-12-2)48(83-87(61,75-30-67-38(53)15-5)76-31-68-39(54)16-6)50(85-89(63,79-34-71-42(57)19-9)80-35-72-43(58)20-10)49(84-88(62,77-32-69-40(55)17-7)78-33-70-41(56)18-8)47(45)82-86(60,73-28-65-36(51)13-3)74-29-66-37(52)14-4/h45-50H,11-35H2,1-10H3/t45-,46+,47+,48+,49-,50-/m1/s1
| Molecular Formula | C50H86O35P4 |
| Molecular Weight | 1371.0919 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
INO-4995, a synthetic analog of the intracellular signaling molecule, D-myo-inositol 3,4,5,6-tetrakisphosphate, regulates airway secretory and absorptive processes, affecting mucosal hydration by prolonged inhibition of Na(+) and fluid absorption in cystic fibrosis (CF) human nasal epithelia. At the moment INO-4995 is in preclinical development for CF treatment.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Control of TMEM16A by INO-4995 and other inositolphosphates. | 2013-01 |
|
| INO-4995 therapeutic efficacy is enhanced with repeat dosing in cystic fibrosis knockout mice and human epithelia. | 2010-01 |
|
| Inositol polyphosphate derivative inhibits Na+ transport and improves fluid dynamics in cystic fibrosis airway epithelia. | 2005-09 |
|
| 2-Deoxy derivative is a partial agonist of the intracellular messenger inositol 3,4,5,6-tetrakisphosphate in the epithelial cell line T84. | 1998-09-10 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:30:18 GMT 2025
by
admin
on
Mon Mar 31 21:30:18 GMT 2025
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| Record UNII |
3LM5SX2N4X
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| Record Status |
Validated (UNII)
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| Record Version |
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Download
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Preferred Name | English |
| Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
169003
Created by
admin on Mon Mar 31 21:30:18 GMT 2025 , Edited by admin on Mon Mar 31 21:30:18 GMT 2025
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10148804
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3LM5SX2N4X
Created by
admin on Mon Mar 31 21:30:18 GMT 2025 , Edited by admin on Mon Mar 31 21:30:18 GMT 2025
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PRIMARY |