Mycophenolate sodium - ≥98% , Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor, CAS No.37415-62-6, Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor

CAS: 37415-62-6 Cat. No.: M339508 Formule: C₁₇H₁₉NaO₆ Poids moléculaire: 342.32 Numéro CE: 687-703-1

QUALITÉ & PURETÉ ≥98%

Synonyms

MYCOPHENOLATE SODIUM (USP-RS)|Mycophenolate sodium [USAN]|2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo[d]thiazol-3-ium chloride (Thioflavin T)|4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, sodium salt|MYCOPHENOLATE SODIUM (EP MONOGRAPH)|starbld0043375|Myfortic|Sodium 4(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate|Mycophenolate (sodium)|Mycophenolic acid (sodium)|4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, monosodium salt, (4E)-|Socium Mycophenolate|MYCOPHENOLATESODIUM|MYCOPHENOLATE SODIUM|Chlorazol Leather Black BH|sodium;(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate|4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, sodium salt(1:1) , (4E)-|EC-MPS|EGP437. Dex-Phos|Monolite Fast Scarlet RT|sodium;(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid|MYCOPHENOLATE SODIUM [MART.]|Mycophenolic sod|Mycophenolic acid sodium salt|MYCOPHENOLIC ACID SODIUM SALT [MI]|MYCOPHENOLATE SODIUM [USP-RS]|Mycophenolic acid monosodium salt|Femulan|Mycophenolate sodium (USP)|MYCOPHENOLATE SODIUM [EP MONOGRAPH]|Mycophenolic sodium|Myfortic (TN)|4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, monosodium salt, (E)-|ERL 080A|Sodium (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate|ERL-080A|Mycophenolic acid, sodium salt|5-Amino-3-({4'-[(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl][1,1'-biphenyl]-4-yl}diazenyl)-4-hydroxynaphthalene-2,7-disulfonic acid|sodium (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate|ERL 080|MYCOPHENOLATE SODIUM (USP MONOGRAPH)|MYCOPHENOLATE SODIUM [WHO-DD]|ERL-080|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)-|MYCOPHENOLATE SODIUM [USP MONOGRAPH]|Benzoic acid, 5-((4'-((7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, disodium salt|MYCOPHENOLATE SODIUM [VANDF]|Sodium mycophenolate

Storage

Store at 2-8°C

Shipped In

Wet ice

Spécifications

Synonymes

MYCOPHENOLATE SODIUM (USP-RS) | Mycophenolate sodium [USAN] | 2-(4-(Dimethylamino)phenyl)-3,6-dimethylbenzo[d]thiazol-3-ium chloride (Thioflavin T) | 4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, sodium salt | MYCOPHENOLATE SODIUM (EP MONOGRAPH) | starbld0043375 | Myfortic | Sodium 4(E)-6-(4-hydroxy-6-met Afficher plus

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Mécanisme d'action

Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508817193

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508817193

Sourires canoniques

CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)[O-])O.[Na+]

IUPAC Name

sodium;(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate

InChIKey

DOZYTHNHLLSNIK-JOKMOOFLSA-M

INCHI

1S/C17H20O6.Na/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3;/h4,20H,5-8H2,1-3H3,(H,18,19);/q;+1/p-1/b9-4+;

Isomères SMILES

CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)[O-])O.[Na+]

Poids moléculaire

342.32

Reaxy-Rn

14419686

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14419686&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isocoumarans
      • Subclass Isobenzofuranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isocoumarans
• Subclass: Isobenzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalides
• Alternative Parents: Anisoles Medium-chain fatty acids Alkyl aryl ethers Hydroxy fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Vinylogous acids Carboxylic acid esters Carboxylic acid salts Lactones Carboxylic acids Oxacyclic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalide - Anisole - Medium-chain fatty acid - Alkyl aryl ether - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Vinylogous acid - Carboxylic acid ester - Lactone - Carboxylic acid salt - Carboxylic acid derivative - Organic alkali metal salt - Oxacycle - Ether - Carboxylic acid - Organic sodium salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic salt - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.
• External Descriptors: organic sodium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Solubilité: mixes with water (>100 g/l, 25 C). Solubilities: (m/V): 1-octanol 0.22%; ethanol 0.6%. Highly sol in aqueous media at physiological pH. Practically insol in 0.1N HCl
• Indice de réfraction: n20D~1.58
• Point de fusion (°C): 184-185° C (lit.)
• Poids moléculaire: 342.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 342.108 Da
• Monoisotopic Mass: 342.108 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 491.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3