Rivipansel

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Rivipansel
Accession Number
DB12778  (DB12544)
Type
Small Molecule
Groups
Investigational
Description

Rivipansel has been used in trials studying the other, basic science, and treatment of Pain Crisis, Renal impairment, Anemia, Sickle Cell, Sickle Cell Disease, and Sickle Cell Disorders, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
PF-06460031
Product Ingredients
IngredientUNIICASInChI Key
Rivipansel sodium11AEN6VWDN1189037-60-2QQDCIMVGFXSAJH-DJFGCAFRSA-J
Categories
UNII
4B115V09LB
CAS number
927881-99-0
Weight
Average: 1447.42
Monoisotopic: 1446.356063149
Chemical Formula
C58H74N6O31S3
InChI Key
VXBNTHRZPJLRSS-PTCSXESPSA-N
InChI
InChI=1S/C58H74N6O31S3/c1-27-45(69)47(71)48(72)56(90-27)95-49-35(62-53(74)36-23-41(66)64-58(78)63-36)19-31(20-37(49)92-57-51(94-55(77)29-10-6-3-7-11-29)50(46(70)39(24-65)93-57)91-38(54(75)76)16-28-8-4-2-5-9-28)52(73)60-13-12-59-42(67)25-88-14-15-89-26-43(68)61-34-21-32(96(79,80)81)17-30-18-33(97(82,83)84)22-40(44(30)34)98(85,86)87/h3,6-7,10-11,17-18,21-23,27-28,31,35,37-39,45-51,56-57,65,69-72H,2,4-5,8-9,12-16,19-20,24-26H2,1H3,(H,59,67)(H,60,73)(H,61,68)(H,62,74)(H,75,76)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H2,63,64,66,78)/t27-,31+,35-,37+,38-,39+,45+,46-,47+,48-,49+,50-,51+,56-,57+/m0/s1
IUPAC Name
(2S)-2-{[(2R,3R,4S,5S,6R)-3-(benzoyloxy)-2-{[(1R,2R,3S,5R)-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-amido)-2-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5-({2-[2-(2-{[(3,6,8-trisulfonaphthalen-1-yl)carbamoyl]methoxy}ethoxy)acetamido]ethyl}carbamoyl)cyclohexyl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3-cyclohexylpropanoic acid
SMILES
[H][C@@](CC1CCCCC1)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2C[C@@H](C[C@H](NC(=O)C3=CC(=O)NC(=O)N3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C(=O)NCCNC(=O)COCCOCC(=O)NC2=C3C(=CC(=C2)S(O)(=O)=O)C=C(C=C3S(O)(=O)=O)S(O)(=O)=O)[C@@H]1OC(=O)C1=CC=CC=C1)C(O)=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Substance
347911379
ChemSpider
30790724
ChEMBL
CHEMBL3707446

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers1
1CompletedOtherHealthy Volunteers2
1CompletedOtherHealthy Volunteers / Impaired kidney function1
1CompletedOtherModerate Hepatic Impairment / Normal Hepatic Function1
1, 2CompletedTreatmentSickle Cell Disease (SCD)1
2CompletedTreatmentPain Crisis / Sickle Cell Disease (SCD) / Vaso-occlusive Crisis1
3CompletedTreatmentSickle Cell Anemia1
3TerminatedTreatmentPain Crisis / Sickle Cell Anemia / Sickle Cell Disease (SCD) / Vaso-occlusive Crisis1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.09 mg/mLALOGPS
logP-1ALOGPS
logP-8.8ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)-3.1ChemAxon
pKa (Strongest Basic)-3.9ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count30ChemAxon
Hydrogen Donor Count15ChemAxon
Polar Surface Area567.07 Å2ChemAxon
Rotatable Bond Count30ChemAxon
Refractivity328.37 m3·mol-1ChemAxon
Polarizability140.15 Å3ChemAxon
Number of Rings8ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on October 20, 2016 18:11 / Updated on March 01, 2020 23:52

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