CID-1067700
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Grundinformationen
- CAS
314042-01-8- Standard-SMILES
CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(=O)O)CO1- InChIKey
ATSWBWHRHAQVFM-UHFFFAOYSA-N- Summenformel
- C18H18N2O4S2
- Durchschnittliche Molmasse
- 390,486 g/mol
- Monoisotopische Masse
- 390,07079906
Namen und Bezeichner
- Bevorzugter Name
- CID-1067700
- IUPAC
- 2-[(Benzoylcarbamothioyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
- Englischer Name
- CID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
- Summenformel
- C18H18N2O4S2
- Molmasse
- 390.48
Namen und Synonyme
CID-1067700CS-1986SID57578339CID-1067700 ，E0135CID-1067700 (ML282)CID-1067700, 10 mM in DMSO2-(Benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic AcidCID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid2-[[(Benzoylamino)thioxomethyl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylic acid5H-Thieno[2,3-c]pyran-3-carboxylic acid, 2-[[(benzoylamino)thioxomethyl]amino]-4,7-dihydro-5,5-dimethyl-
Datenbank-Bezeichner
- CAS
314042-01-8- PubChem CID
- 1067700
- DTXSID
DTXSID80360013- ChEMBL
CHEMBL1328505- ChEBI
CHEBI:122039
Eigenschaften
Physikochemische Eigenschaften
- Dichte
- 1.41 · 1.410±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 10 mg/mL, · DMSO: soluble10mg/mL, clear
- pka
- 4.25 · 4.25±0.40(Predicted)
- Aggregatzustand
- powder
- Farbe
- white to light brown
- Stabilität
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 2 months.
- InChI
- 1S/C18H18N2O4S2/c1-18(2)8-11-12(9-24-18)26-15(13(11)16(22)23)20-17(25)19-14(21)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,22,23)(H2,19,20,21,25)
- InChIKey
- ATSWBWHRHAQVFM-UHFFFAOYSA-N
- SMILES
- [s]1c2c(c(c1NC(=S)NC(=O)c3ccccc3)C(=O)O)CC(OC2)(C)C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungThe 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.
VerwendenThis compound acts as a novel GTPase inhibitor.
Anbieter51 Anbieter
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