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Cas Database

1616776-08-9

1616776-08-9

Identification

  • Product Name:Lys-boc octreotide 3-tritylmercaptopropionamide

  • CAS Number: 1616776-08-9

  • EINECS:

  • Molecular Weight:1449.82

  • Molecular Formula: C76H92N10O13S3

  • HS Code:

  • Mol File:1616776-08-9.mol

Synonyms:Lys-boc octreotide 3-tritylmercaptopropionamide

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Relevant articles and documentsAll total 3 Articles be found

TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF

-

Paragraph 00290, (2016/01/25)

Nanoparticles and microparticles, and pharmaceutical formulations thereof, containing conjugates of an active agent such as a therapeutic, prophylactic, or diagnostic agent attached to a targeting moiety, such as a somatostatin receptor binding moiety, via a linker have been designed. Such nanoparticles and microparticles can provide improved temporospatial delivery of the active agent and/or improved biodistribution. Methods of making the conjugates, the particles, and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer or infectious diseases.

TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF

-

Paragraph 00630, (2016/01/25)

Particles, including nanoparticles and microparticles, and pharmaceutical formulations thereof, comprising conjugates of an active agent such as a therapeutic, prophylactic, or diagnostic agent attached to a targeting moiety via a linker have been designe

Targeted Conjugates Encapsulated in Particles and Formulations Thereof

-

Paragraph 0319, (2014/07/08)

Particles, including nanoparticles and microparticles, and pharmaceutical formulations thereof, containing conjugates of an active agent such as a therapeutic, prophylactic, or diagnostic agent attached to a targeting moiety via a linker have been designed which can provide improved temporospatial delivery of the active agent and/or improved biodistribution. Methods of making the conjugates, the particles, and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer or infectious diseases.

Process route upstream and downstream products

Process route

di-<i>tert</i>-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

3-(triphenylmethylthio)propionic acid N-hydroxysuccinimide ester
129431-12-5

3-(triphenylmethylthio)propionic acid N-hydroxysuccinimide ester

octreotide acetate
79517-01-4

octreotide acetate

Lys-boc octreotide 3-tritylmercaptopropionamide
1616776-08-9

Lys-boc octreotide 3-tritylmercaptopropionamide

Conditions
Conditions Yield
di-tert-butyl dicarbonate; octreotide acetate; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;
3-(triphenylmethylthio)propionic acid N-hydroxysuccinimide ester; In N,N-dimethyl-formamide; at 20 ℃; for 16h;
77%
di-tert-butyl dicarbonate; octreotide acetate; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;
3-(triphenylmethylthio)propionic acid N-hydroxysuccinimide ester; In N,N-dimethyl-formamide; at 20 ℃; for 16h;
77%
di-tert-butyl dicarbonate; octreotide acetate; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;
3-(triphenylmethylthio)propionic acid N-hydroxysuccinimide ester; In N,N-dimethyl-formamide; at 20 ℃; for 16h;
77%
Lys-Boc octereotide acetate

Lys-Boc octereotide acetate

3-(triphenylmethylthio)propionic acid N-hydroxysuccinimide ester
129431-12-5

3-(triphenylmethylthio)propionic acid N-hydroxysuccinimide ester

Lys-boc octreotide 3-tritylmercaptopropionamide
1616776-08-9

Lys-boc octreotide 3-tritylmercaptopropionamide

Conditions
Conditions Yield
With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 50 ℃; for 2h;
93%
With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 50 ℃; for 2h;
93%
C<sub>57</sub>H<sub>73</sub>N<sub>3</sub>O<sub>15</sub>S<sub>2</sub>
1616835-66-5

C57H73N3O15S2

Lys-boc octreotide 3-tritylmercaptopropionamide
1616776-08-9

Lys-boc octreotide 3-tritylmercaptopropionamide

C<sub>104</sub>H<sub>138</sub>N<sub>12</sub>O<sub>26</sub>S<sub>4</sub>

C104H138N12O26S4

Conditions
Conditions Yield
Lys-boc octreotide 3-tritylmercaptopropionamide; With chlorotriisopropylsilane; trifluoroacetic acid; at 20 ℃; for 0.0833333h;
C57H73N3O15S2; In tetrahydrofuran; aq. phosphate buffer; at 20 ℃; for 2h; pH=8;
69%
2,2'-dipyridyldisulphide
2127-03-9

2,2'-dipyridyldisulphide

Lys-boc octreotide 3-tritylmercaptopropionamide
1616776-08-9

Lys-boc octreotide 3-tritylmercaptopropionamide

acetic acid
64-19-7,77671-22-8

acetic acid

(x)C<sub>2</sub>H<sub>4</sub>O<sub>2</sub>*C<sub>57</sub>H<sub>73</sub>N<sub>11</sub>O<sub>11</sub>S<sub>4</sub>

(x)C2H4O2*C57H73N11O11S4

Conditions
Conditions Yield
Lys-boc octreotide 3-tritylmercaptopropionamide; With chlorotriisopropylsilane; water; trifluoroacetic acid; at 20 ℃; for 0.0833333h;
2,2'-dipyridyldisulphide; With methanol; In water; at 20 ℃; for 2h;
acetic acid; In water; acetonitrile;
69%
C<sub>57</sub>H<sub>73</sub>N<sub>3</sub>O<sub>15</sub>S<sub>2</sub>
1616835-66-5

C57H73N3O15S2

Lys-boc octreotide 3-tritylmercaptopropionamide
1616776-08-9

Lys-boc octreotide 3-tritylmercaptopropionamide

acetic acid
64-19-7,77671-22-8

acetic acid

(x)C<sub>2</sub>H<sub>4</sub>O<sub>2</sub>*C<sub>104</sub>H<sub>138</sub>N<sub>12</sub>O<sub>26</sub>S<sub>4</sub>

(x)C2H4O2*C104H138N12O26S4

Conditions
Conditions Yield
Lys-boc octreotide 3-tritylmercaptopropionamide; With chlorotriisopropylsilane; water; trifluoroacetic acid; at 20 ℃; for 0.0833333h;
C57H73N3O15S2; In tetrahydrofuran; aq. phosphate buffer; at 20 ℃; for 2h; pH=8;
acetic acid; In water; acetonitrile;
69%
Lys-boc octreotide 3-tritylmercaptopropionamide
1616776-08-9

Lys-boc octreotide 3-tritylmercaptopropionamide

cabazitaxel 2-(2-pyridyldithio)ethylcarbonate

cabazitaxel 2-(2-pyridyldithio)ethylcarbonate

C<sub>105</sub>H<sub>137</sub>N<sub>11</sub>O<sub>29</sub>S<sub>4</sub>

C105H137N11O29S4

Conditions
Conditions Yield
Lys-boc octreotide 3-tritylmercaptopropionamide; With chlorotriisopropylsilane; trifluoroacetic acid; In water; at 20 ℃; for 0.166667h;
cabazitaxel 2-(2-pyridyldithio)ethylcarbonate; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h;
45%
Lys-boc octreotide 3-tritylmercaptopropionamide
1616776-08-9

Lys-boc octreotide 3-tritylmercaptopropionamide

4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
646502-53-6

4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate

C<sub>95</sub>H<sub>134</sub>ClN<sub>13</sub>O<sub>24</sub>S<sub>4</sub>

C95H134ClN13O24S4

acetic acid
64-19-7,77671-22-8

acetic acid

C<sub>120</sub>H<sub>175</sub>N<sub>21</sub>O<sub>26</sub>S<sub>3</sub>*C<sub>2</sub>H<sub>4</sub>O<sub>2</sub>

C120H175N21O26S3*C2H4O2

Conditions
Conditions Yield
Lys-boc octreotide 3-tritylmercaptopropionamide; 4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate; With chlorotriisopropylsilane; water; trifluoroacetic acid; In N,N-dimethyl-formamide; for 0.0833333h;
C95H134ClN13O24S4; With sodium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;
acetic acid; In water; acetonitrile;
56%
Lys-boc octreotide 3-tritylmercaptopropionamide
1616776-08-9

Lys-boc octreotide 3-tritylmercaptopropionamide

cabazitaxel 2-(2-pyridyldithio)ethylcarbonate

cabazitaxel 2-(2-pyridyldithio)ethylcarbonate

acetic acid
64-19-7,77671-22-8

acetic acid

(x)C<sub>2</sub>H<sub>4</sub>O<sub>2</sub>*C<sub>100</sub>H<sub>129</sub>N<sub>11</sub>O<sub>27</sub>S<sub>4</sub>

(x)C2H4O2*C100H129N11O27S4

Conditions
Conditions Yield
Lys-boc octreotide 3-tritylmercaptopropionamide; With chlorotriisopropylsilane; water; trifluoroacetic acid; at 20 ℃; for 0.166667h;
cabazitaxel 2-(2-pyridyldithio)ethylcarbonate; With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h;
acetic acid; In water; acetonitrile;
45%
cy5.5 maleimide
1593644-50-8

cy5.5 maleimide

Lys-boc octreotide 3-tritylmercaptopropionamide
1616776-08-9

Lys-boc octreotide 3-tritylmercaptopropionamide

trifluoroacetic acid
76-05-1

trifluoroacetic acid

C<sub>98</sub>H<sub>117</sub>N<sub>14</sub>O<sub>14</sub>S<sub>3</sub><sup>(1+)</sup>*C<sub>2</sub>F<sub>3</sub>O<sub>2</sub><sup>(1-)</sup>*C<sub>2</sub>HF<sub>3</sub>O<sub>2</sub>

C98H117N14O14S3(1+)*C2F3O2(1-)*C2HF3O2

Conditions
Conditions Yield
Lys-boc octreotide 3-tritylmercaptopropionamide; trifluoroacetic acid; With chlorotriisopropylsilane; In water;
cy5.5 maleimide; With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 0.5h;
30%
cy5.5 maleimide
1593644-50-8

cy5.5 maleimide

Lys-boc octreotide 3-tritylmercaptopropionamide
1616776-08-9

Lys-boc octreotide 3-tritylmercaptopropionamide

trifluoroacetic acid
76-05-1

trifluoroacetic acid

C<sub>98</sub>H<sub>119</sub>N<sub>14</sub>O<sub>14</sub>S<sub>3</sub><sup>(1+)</sup>*C<sub>2</sub>HF<sub>3</sub>O<sub>2</sub>*C<sub>2</sub>F<sub>3</sub>O<sub>2</sub><sup>(1-)</sup>
1616776-07-8

C98H119N14O14S3(1+)*C2HF3O2*C2F3O2(1-)

Conditions
Conditions Yield
Lys-boc octreotide 3-tritylmercaptopropionamide; With trifluoroacetic acid; In water;
cy5.5 maleimide; With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 0.5h;
trifluoroacetic acid; In water; acetonitrile;

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