107819-90-9

Basic information

• Product Name: 1,3-DI-BOC-2-METHYLISOTHIOUREA
• Synonyms: N,N'-DI-BOC-S-METHYLISOTHIOUREA;N,N'-BIS(TERT-BUTOXYCARBONYL)-S-METHYLISOTHIOUREA;1,3-DI-BOC-2-METHYLISOTHIOUREA;1,3-BIS(TERT-BUTOXYCARBONYL)-2-METHYL-2-THIOPSEUDOUREA;1,3-bis(tert-butoxycarbonyl)-2-methyl-2-thiopseud;1,3-Di-Boc-2-methylisothiourea, N,Nμ-Di-Boc-S-methylisothiourea, N,Nμ-Bis(tert-butoxycarbonyl)-S-methylisothiourea;1,3-Di-Boc-2-methylisothiourea, N,Nμ-Bis(tert-butoxycarbonyl)-S-methylisothiourea;1,3-Bis(tert-butoxycarbonyl)-2-methyl-2-thiopseudourea,95%
• CAS NO: 107819-90-9
• Molecular Formula: C₁₂H₂₂N₂O₄S
• Molecular Weight: 290.38
• Mol File: 107819-90-9.mol
• Article Data: 9

Chemical Properties

• Melting Point: 115-121 °C(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.1g/cm³
• Refractive Index: 1.492
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: Acetonitrile (Very Slightly), Chloroform (Slightly), Methanol (Slightly)
• PKA: 6.77±0.46(Predicted)
• BRN: 5815984
• CAS DataBase Reference: 1,3-DI-BOC-2-METHYLISOTHIOUREA(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-DI-BOC-2-METHYLISOTHIOUREA(107819-90-9)
• EPA Substance Registry System: 1,3-DI-BOC-2-METHYLISOTHIOUREA(107819-90-9)

Safety Data

• Safety Statements: 24/25
• WGK Germany: 3
• Hazardous Substances Data: 107819-90-9(Hazardous Substances Data)

Usage

Chemical Properties

White crystalline powder

Uses

Reagent for the guanylation of amines.

InChI:InChI=1/C12H22N2O4S/c1-11(2,3)17-9(15)13-8(19-7)14-10(16)18-12(4,5)6/h1-7H3,(H,13,14,15,16)

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 867-44-7 S-Methylisothiourea sulfate 
• 2986-19-8 carbamimidothioic acid methyl ester 
• 147895-43-0 S-methylisothiourea hemisulphate 
• 861333-51-9 S-methyl isothiouronium sulphate 

Downstream Products

• 83585-01-7 Z-Arg^ω,ω'(Boc)2-OH 
• 332882-82-3 tert-butyl (NE)-N-[amino-(tert-butoxycarbonylamino)methylene]carbamate 
• 322474-26-0 C₂₆H₃₃F₃N₄O₈ 
• 497881-04-6 N¹,N²-bis(tert-butoxycarbonyl)-4-phenylpiperazine-1-carboxamidine 
• 220652-02-8 N,N?-bis(tert-butoxycarbonyl)-N-benzyl-S-methylisothiourea 
• 332882-82-3 1,3-bis(t-butoxycarbonyl)guanidine 
• 1146853-02-2 1,1-dimethylethyl {6-[(2,6-dichlorobenzyl)oxy]-1H-benzimidazol-2-yl}carbamate 

Relevant articles and documents

Rational design of novel irreversible inhibitors for human arginase

Parasites have developed a variety of strategies for invading hosts and escaping their immune response. A common mechanism by which parasites escape nitric oxide (NO) toxicity is the activation of host arginase. This activation leads to a depletion of L-arginine, which is the substrate for NO synthase, resulting in lower levels of NO and increased production of polyamines that are necessary for parasite growth and differentiation. For this reason, small molecule inhibitors for arginase show promise as new anti-parasitic chemotherapeutics. However, few arginase inhibitors have been reported. Here, we describe the discovery of novel irreversible arginase inhibitors, and their characterization using biochemical, kinetic, and structural studies. Importantly, we determined the site on human arginase that is labeled by one of the small molecule inhibitors. The tandem mass spectra data show that the inhibitor occupies the enzyme active site and forms a covalent bond with Thr135 of arginase. These findings pave the way for the development of more potent and selective irreversible arginase inhibitors.

ANTITHROMBOTIC AGENTS

This invention relates to thrombin inhibiting compounds having the Formula IX--Y--NH--(CH 2) r--G I where X, Y, r and G have the values defined in the description, as well as pharmaceutical formulations containing those compounds and methods of their use as thrombin inhibitors, coagulation inhibitors, and thromboembolic disorder agents.

ANTITHROMBOTIC AGENTS

This invention relates to thrombin inhibiting compounds having the FormulaIX--Y--NH--(CH 2) r--G I where X, Y, r and G have the values defined in the description, as well as pharmaceutical formulations containing those compounds and methods of their use as thrombin inhibitors, coagulation inhibitors, and thromboembolic disorder agents.