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314042-01-8

中文名稱 2-[[(苯甲酰基氨基)硫代甲酰]氨基]-4,7-二氫-5,5-二甲基-5H-噻吩并[2,3-C]吡喃-3-羧酸
英文名稱 CID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
CAS 314042-01-8
分子式 C18H18N2O4S2
分子量 390.48
MOL 文件 314042-01-8.mol
更新日期 2024/07/15 17:10:58
314042-01-8 結(jié)構(gòu)式 314042-01-8 結(jié)構(gòu)式

基本信息

中文別名
2-[[(苯甲?;被?硫代甲酰]氨基]-4,7-二氫-5,5-二甲基-5H-噻吩并[2,3-C]吡喃-3-羧酸
英文別名
CS-1986
SID57578339
CID-1067700
2-(Benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic Acid
CID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
2-[[(Benzoylamino)thioxomethyl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylic acid
5H-Thieno[2,3-c]pyran-3-carboxylic acid, 2-[[(benzoylamino)thioxomethyl]amino]-4,7-dihydro-5,5-dimethyl-

物理化學(xué)性質(zhì)

密度1.410±0.06 g/cm3(Predicted)
儲(chǔ)存條件2-8°C
溶解度DMSO:可溶10mg/mL,澄清
酸度系數(shù)(pKa)4.25±0.40(Predicted)
形態(tài)粉末
顏色白色至淺棕色
穩(wěn)定性自購(gòu)買之日起 1 年內(nèi)保持穩(wěn)定。 DMSO 中的溶液可在 -20°C 下保存長(zhǎng)達(dá) 2 個(gè)月。
InChI1S/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)
InChIKeyATSWBWHRHAQVFM-UHFFFAOYSA-N
SMILES[s]1c2c(c(c1NC(=S)NC(=O)c3ccccc3)C(=O)O)CC(OC2)(C)C

安全數(shù)據(jù)

危險(xiǎn)性符號(hào)(GHS)有害 (GHS07)
GHS07
警示詞警告
危險(xiǎn)性描述H302-H315-H319-H335
WGK Germany3
存儲(chǔ)類別11 - Combustible Solids
2-[[(苯甲?;被?硫代甲酰]氨基]-4,7-二氫-5,5-二甲基-5H-噻吩并[2,3-C]吡喃-3-羧酸價(jià)格(試劑級(jí))
報(bào)價(jià)日期產(chǎn)品編號(hào)產(chǎn)品名稱CAS號(hào)包裝價(jià)格
2026/06/05HY-134522-[[(苯甲?;被?硫代甲酰]氨基]-4,7-二氫-5,5-二甲基-5H-噻吩并[2,3-C]吡喃-3-羧酸
CID-1067700
314042-01-81 mg310元
2026/06/05HY-134522-[[(苯甲?;被?硫代甲酰]氨基]-4,7-二氫-5,5-二甲基-5H-噻吩并[2,3-C]吡喃-3-羧酸
CID-1067700
314042-01-85mg700元
2026/06/05HY-134522-[[(苯甲?;被?硫代甲酰]氨基]-4,7-二氫-5,5-二甲基-5H-噻吩并[2,3-C]吡喃-3-羧酸
CID-1067700
314042-01-810mM * 1mLin DMSO770元

常見問題列表

生物活性
CID-1067700 (ML282) 是 pan GTPase 抑制劑,可競(jìng)爭(zhēng)性抑制大腦 7 (Rab7) 中的 Ras 相關(guān)蛋白,Ki 為 13 nM。
靶點(diǎn)

Ki: 13 nM (Rab7)

體外研究

CID-1067700 (ML282) is a pan GTPase inhibitor, and competitively inhibits Rab7 with a K i of 13 nM. CID-1067700 shows inhibitory activity against nucleotide binding by Rab7, with K d s of 100 nM and 40 nM for BODIPY-GTP and BODIPY-GDP, respectively. With increasing concentration, CID-1067700 causes strong inhibition on binding of the BODIPY-linked nucleotides, with EC 50 values of 11.22 ± 1.34 nM for BODIPY-GTP and 20.96 ± 1.34 nM for BODIPY-GDP and calculated K i values of 12.89 nM and 19.70 nM respectively. CID-1067700 (10 μM) has no effect on the rate of release of bound BODIPY-linked nucleotide by wild type Rab7 under equilibrium binding conditions. CID-1067700 (0-40 μM) inhibits Rab7 activity, NF-κB activation as well as AID induction in B cells. Furthermore, CID-1067700 binds Rab7 with a high affinity (EC 50 : 10-20 nM), and blocks Class switch DNA recombination (CSR) in B cells via targeting Rab7.

體內(nèi)研究

CID-1067700 (ML282; 16 mg/kg, i.p.) prevents disease development in lupus-prone mice by Rab7 inhibition, and reduces IgG-IC deposition in MRL/ Fas lpr/lpr mice. CID-1067700 also targets B cells and specifically impairs the CSR machinery in vivo.

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