Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 103-47-9 | MDL No. : | MFCD00003835 |
Formula : | C8H17NO3S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | MKWKNSIESPFAQN-UHFFFAOYSA-N |
M.W : | 207.29 | Pubchem ID : | 66898 |
Synonyms : |
N-Cyclohexyltaurine
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 51.79 |
TPSA : | 74.78 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -8.44 cm/s |
Log Po/w (iLOGP) : | 1.09 |
Log Po/w (XLOGP3) : | -1.24 |
Log Po/w (WLOGP) : | 1.88 |
Log Po/w (MLOGP) : | 0.54 |
Log Po/w (SILICOS-IT) : | 0.17 |
Consensus Log Po/w : | 0.49 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.08 |
Solubility : | 172.0 mg/ml ; 0.832 mol/l |
Class : | Very soluble |
Log S (Ali) : | 0.17 |
Solubility : | 303.0 mg/ml ; 1.46 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | -1.53 |
Solubility : | 6.06 mg/ml ; 0.0292 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.45 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H319 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
wherein the biological buffer is selected from the group consisting of: ... 1,3-bistrishydroxymethylmethylaminopropane (Bis-Tris Propane); 4-cyclohexylamino-1-butane sulfonic acid (CABS); 3-cyclohexylamino-1-propane sulfonic acid (CAPS); 3-cyclohexylamino-2-hydroxy-1-propane sulfonic acid (CAPSO); 2-N-cyclohexylaminoethanesulfonic acid (CHES); 3-N,N-bis-2-hydroxyethylamino-2-hydroxypropanesulfonic acid (DIPSO); N-2-hydroxyethylpiperazine-N-3-propanesulfonic acid (EPPS); N-2-hydroxyethylpiperazine-N-4-butanesulfonic acid (HEPBS); ... | ||
Zwitterionic compounds selected from: ... N-(2-acetamido)-2-aminoethanesulphonic acid (ACES), N,N-bis(2-hydroxyethyl)-2-aminoethanesulphonic acid (BES), N-N[tris(hydroxymethyl)-methyl]-2-aminoethanesulphonic acid (TES), N-2-hydroxyethylpiperazine-N'-2-ethanesulphonic acid (HEPES), 2-(cyclohexylamino)ethanesulphonic acid (CHES) or 3-(cyclohexylamino)propanesulphonic acid (CAPS), | ||
...g a chronic progressive inflammatory condition or disease by stimulating myeloperoxidase activity comprising systemically administering to a patient in need thereof an effective amount of taurine and at least one N-halo derivative of a zwitterionic compound selected from the group consisting of: ... N,N-bis(2-hydroxylethyl)-2-aminoethanesulphonic acid) (BES), N,N[tris(hydroxymethyl)-methyl]-2-aminoethanesulphonic acid) (TES), N,2-hydroxyethylpiperazine-N'-2-ethanesulphonic acid) (HEPES), N,2-hydroxyethylpiperazine-N'-3-propanesulphonic acid) ((H)EPPS), 2-(cyclohexylamino)ethanesulphonic acid) (CHES), and |
Method of claim 4, further comprising administering an N-halo derivative of a compound selected from the group consisting of ... N,N-bis(2-hydroxylethyl)-2-aminoethanesulphonic acid) (BES), N,N[tris(hydroxymethyl)-methyl]-2-aminoethanesulphonic acid) (TES), N,2-hydroxyethylpiperazine-N'-2-ethanesulphonic acid) (HEPES), N,2-hydroxyethylpiperazine-N'-3-propanesulphonic acid) ((H)EPPS), 2-(cyclohexylamino)ethanesulphonic acid) (CHES) and 3-(cyclohexylamino) propanesulphonic acid) (CAPS). | ||
The present invention provides a method of stimulating myeloperoxidase activity in a patient in need of such stimulation, which comprises administering to said patient as active agent an effective amount of a zwitterionic compound selected from: ... N,N-bis(2-hydroxyethyl)-2-aminoethanesulphonic acid (BES), N-N[tris(hydroxymethyl)-methyl]-2-aminoethanesulphonic acid (TES), N-2-hydroxyethylpiperazine-N'-2-ethanesulphonic acid (HEPES), N-2-hydroxyethylpiperazine-N'3-propanesulphonic acid ((H)EPPS), 2-(cyclohexylamino)ethanesulphonic acid (CHES) or 3-(cyclohexylamino)propanesulphonic acid (CAPS), | ||
Use of a zwitterionic compound selected from: ... N-2-hydroxyethylpiperazine-N--2-ethanesulphonic acid (HEPES), N-2-hydroxyethylpiperazine-N-3 -propanesulphonic acid ((H)EPPS), 2-(cyclohexylamino) ethanesulphonic acid (CHES) or 3-(cyclohexylamino) propanesulphonic acid (CAPS), |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium carbonate; In acetonitrile;Reflux; | As shown in Scheme 4, reaction of TPO chloride (2) with 2- (Cyclohexylamino)ethanesulfonic acid (6) in the presence of K2C03 in acetonitrile under reflux gives water soluble photo initiator IV. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium carbonate; In acetonitrile;Reflux; | As shown in Scheme 7, reaction of TPO di-chloride (4) with 2 equivalents of <strong>[103-47-9]2-(Cyclohexylamino)ethanesulfonic acid</strong> (6) in the presence of K2CO3 in acetonitrile under reflux gives water soluble photo initiator VII. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
10.9 g | In water; at 50.0℃; for 6.0h;Reflux; | 1) 99 g (1 mol) of cyclohexylamine was heated to 50 C, and then a solution of 181 g (0.98 mol) of sodium 2-chloroethylsulfonate dissolved in 170 mL of water was dissolved by heating, and the mixture was stirred and heated to reflux for 6 hours. ; 2) After the reaction liquid obtained in the step 1) is cooled, 5.5 g of activated carbon is added, and the reflux reaction is complete; 3) The reaction liquid obtained in the step 2) is filtered while hot, the filtrate is concentrated to 48 mL, 200 mL of ethanol is added, and the pH is adjusted to 5.0-6.0 with glacial acetic acid; 35 mL of ethanol is added, cooled to 10 C, and filtered; 4) Add the filter residue obtained in step 3) to 280 mL of hot ethanol and heat to reflux.Add 38 mL of water, filter while hot, cool to 10 C, and filter.The filtrate was washed with cold ethanol and dried to give 45.0 g (0.182 mol) of 2-cyclohexylaminoethanesulfonic acid with an HPLC purity of 98%; Step 5): The filtrate obtained in the step 4) is concentrated to 170 mL, and filtered.Add the filter residue to 120 mL of hot ethanol, heat to reflux, add 16 mL of water, filter while hot, and cool to 10 C.Filtration, the residue was washed with ethanol and dried to give 10.9 g.(0.044 mol) 2-cyclohexylaminoethanesulfonic acid having an HPLC purity of 98%. |
[ 73463-39-5 ]
3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid
Similarity: 0.68
[ 73463-39-5 ]
3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid
Similarity: 0.68
[ 5625-37-6 ]
2,2'-(Piperazine-1,4-diyl)diethanesulfonic acid
Similarity: 0.67
[ 10191-18-1 ]
2-(Bis(2-hydroxyethyl)amino)ethanesulfonic acid
Similarity: 0.65
[ 161308-36-7 ]
4-(4-(2-Hydroxyethyl)piperazin-1-yl)butane-1-sulfonic acid
Similarity: 0.62
[ 34730-59-1 ]
Sodium 2-((2-aminoethyl)amino)ethanesulfonate(50% in H2O)
Similarity: 0.70
[ 13177-41-8 ]
3-(Dimethyl(octadecyl)ammonio)propane-1-sulfonate
Similarity: 0.70
[ 2281-11-0 ]
3-(Hexadecyldimethylammonio)propane-1-sulfonate
Similarity: 0.70
[ 14933-08-5 ]
3-(Dodecyldimethylammonio)propane-1-sulfonate
Similarity: 0.70
[ 73463-39-5 ]
3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid
Similarity: 0.68