2-(3-benzoylthioureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid

Base Information

Chemical Name:2-(3-benzoylthioureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
CAS No.:314042-01-8
Molecular Formula:C18H18N2O4S2
Molecular Weight:390.47652
Hs Code.:
DSSTox Substance ID:DTXSID80360013
Wikidata:Q27210667
Pharos Ligand ID:UKP6VCQW9R3A
ChEMBL ID:CHEMBL1328505
Mol file:314042-01-8.mol

Synonyms:CID 1067700;CID1067700

Suppliers and Price of 2-(3-benzoylthioureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2-(Benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylicAcid
100mg
$ 300.00

Sigma-Aldrich
CID 1067700 ≥98% (HPLC)
5mg
$ 103.00

Sigma-Aldrich
CID 1067700 ≥98% (HPLC)
25mg
$ 415.00

Matrix Scientific
2-(3-Benzoylthioureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylicacid 97%
1g
$ 1792.00

Matrix Scientific
2-(3-Benzoylthioureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylicacid 97%
500mg
$ 1257.00

ChemScene
CID 1067700 98.86%
10mg
$ 140.00

ChemScene
CID 1067700 98.86%
5mg
$ 80.00

Cayman Chemical
CID 1067700 ≥95%
5mg
$ 102.00

Cayman Chemical
CID 1067700 ≥95%
1mg
$ 32.00

Cayman Chemical
CID 1067700 ≥95%
25mg
$ 275.00

Total 12 raw suppliers

Chemical Property of 2-(3-benzoylthioureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid

Chemical Property:

PKA:4.25±0.40(Predicted)
PSA：158.52000
Density:1.410±0.06 g/cm3(Predicted)
LogP:4.21970
Storage Temp.:2-8°C
Solubility.:DMSO: soluble10mg/mL, clear
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:390.07079941
Heavy Atom Count:26
Complexity:578

Purity/Quality:

99%, ^*data from raw suppliers

2-(Benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC2=C(CO1)SC(=C2C(=O)O)NC(=S)NC(=O)C3=CC=CC=C3)C
Description The Ras family of GTPases, including the Arf, Rho, Ras, and Rab GTPase subfamilies, regulates various cellular processes ranging from membrane trafficking to the control of cell proliferation. They regulate cell physiology by switching between active and inactive conformational states by binding either GTP or GDP. Alterations in GTPase function are a known hallmark of certain cancers and genetic diseases. CID-1067700 is one of the first identified competitive inhibitors of nucleotide binding by Ras-related GTPases. It binds the nucleotide binding pocket of Rab7 with a Ki value of 13 nM, preventing BODIPY-linked GTP and GDP binding with EC50 values of 11.2 and 21 nM, respectively.
Uses CID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid acts as a novel GTPase inhibitor.

Technology Process of 2-(3-benzoylthioureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid

There total 1 articles about 2-(3-benzoylthioureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid 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: