J Acid urea

Base Information

• Chemical Name: J Acid urea
• CAS No.: 134-47-4
• Deprecated CAS: 854812-04-7
• Molecular Formula: C21H16N2O9S2
• Molecular Weight: 504.498
• Hs Code.: 2922210000
• European Community (EC) Number: 205-142-9
• NSC Number: 45174,1699
• UNII: 2QJN9485J7
• DSSTox Substance ID: DTXSID7059642
• Nikkaji Number: J5.595F
• Wikidata: Q27074444
• Pharos Ligand ID: 6JL9R1V49MLM
• ChEMBL ID: CHEMBL221047
• Mol file: 134-47-4.mol

Synonyms:134-47-4;7,7'-(Carbonylbis(azanediyl))bis(4-hydroxynaphthalene-2-sulfonic acid);J Acid urea;Urea J Acid;6,6'-Ureylene-bis(1-naphthol-3-sulfonic acid);Scarlet Acid;Carbonyl J Acid;AMI-1;I Acid Urea;AMI-1, free acid;AMI-1 (free acid);C21H16N2O9S2;AMI1;4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid);7,7'-(carbonyldiimino)bis[4-hydroxy-2-naphthalenesulfonic acid];CHEMBL221047;6,6'-Ureylenebis(1-naphthol-3-sulfonic acid);AMI 1;NSC 1699;NSC-1699;NSC45174;EINECS 205-142-9;NSC-45174;4-hydroxy-7-{[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoyl]amino}naphthalene-2-sulfonic acid;N,N'-Bis(1-oxy-3-sulfonaphthyl(6))urea;2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis(4-hydroxy-;2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis[4-hydroxy-;7,7'-(Carbonyldiimino)bis(4-hydroxy-2-naphthalenesulfonic acid);N,N'-Bis(1-hydroxy-3-sulfonaphthyl(6))urea;2-Naphthalenesulfonic acid, 7,7'-ureylenebis(4-hydroxy-;7,7'-carbonylbis(azanediyl)bis(4-hydroxynaphthalene-2-sulfonic acid);N,N'-Bis[1-oxy-3-sulfonaphthyl(6)]urea;NSC648801;N,N'-Bis[1-hydroxy-3-sulfonaphthyl(6)]urea;2-Naphthalenesulfonic acid,7'-ureylenebis[4-hydroxy-;2-Naphthalenesulfonic acid,7'-(carbonyldiimino)bis[4-hydroxy-;Carbonyl J;7,7'-carbonylbis[azanediyl]bis[4-hydroxynaphthalene-2-sulfonic acid];J Urea Acid;AMI-1 free acid;CBChromo1_000012;D09AFM;Probes2_000045;CBDivE_007692;GTPL7028;SCHEMBL2679101;DTXSID7059642;NSC1699;2QJN9485J7;BDBM50206427;HY-18962A;MFCD00035715;s5445;AKOS015853653;C21-H16-N2-O9-S2;CCG-269729;GS-3457;4-hydroxy-7-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoylamino]naphthalene-2-sulfonic acid;4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid;CS-0010165;FT-0619774;O11628;W-108284;Q27074444;4,4'-dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid;7,7'-(Carbonyldiimino)bis(4-hydroxynaphthalene-2-sulfonic Acid);7,7''-carbonylbis(azanediyl)bis(4-hydroxynaphthalene-2-sulfonic acid);7,7'-(Carbonylbis(azanediyl))bis(4-hydroxynaphthalene-2-sulfonicacid);7,7\'-(Carbonylbis(azanediyl))bis(4-hydroxynaphthalene-2-sulfonic acid);7,7`-(CARBONYLBIS(AZANEDIYL))BIS(4-HYDROXYNAPHTHALENE-2-SULFONIC ACID);4-Hydroxy-7-{[(5-hydroxy-7-sulfo(2-naphthyl))amino]carbonylamino}naphthalene-2-sulfonic acid

Chemical Property of J Acid urea

Chemical Property:

• Appearance/Colour: dry grey-white powder
• Melting Point: 86-88°C
• PKA: -0.17±0.40(Predicted)
• PSA: 207.09000
• Density: 1.798 g/cm³
• LogP: 5.84920
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 504.02972244
• Heavy Atom Count: 34
• Complexity: 886

Purity/Quality:

99% ^*data from raw suppliers

6,6'- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O)S(=O)(=O)O)O
• Uses: 7,7''-(Carbonylbis(azanediyl))bis(4-hydroxynaphthalene-2-sulfonic acid) (cas# 134-47-4) is a pharmacologically active compound capable of selective nonbisphosphonate inhibition of human geranylgeranyl diphosphate synthase, and inhibition of shikimate dehydrogenase and shikimate kinase in shikimate pathway of Helicobacter pylori.

Technology Process of J Acid urea

There total 4 articles about J Acid urea which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

bis(trichloromethyl) carbonate (32315-10-9) + 7-amino-4-hydroxy-2-naphthalenesulfonic acid (87-02-5) → AMI-1 (134-47-4)

Guidance literature:

With sodium hydroxide; at 60 ℃; for 6h; pH=7 - 8;

DOI:10.1021/jm061213n

Reference yield:

phosgene (75-44-5) + 7-amino-4-hydroxy-2-naphthalenesulfonic acid (87-02-5) → AMI-1 (134-47-4)

Guidance literature:

With sodium carbonate;

Reference yield:

→ AMI-1 (134-47-4)

Guidance literature:

/BRN= 62775/, COCl2;

upstream raw materials:

phosgene

7-amino-4-hydroxy-2-naphthalenesulfonic acid

bis(trichloromethyl) carbonate

Downstream raw materials:

calcomine orange