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Structure of 2458220-05-6

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Quality Control of [ 2458220-05-6 ] Purity: 99% SDS Specification

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Product Details of [ 2458220-05-6 ]

CAS No. :	2458220-05-6
Formula :	C₃₂H₅₀ClN₅O₇S
M.W :	684.29
SMILES Code :	O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCOCCOCCOCCN)=O)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C.[H]Cl
English Name :	(2S,4R)-1-((S)-1-Amino-14-(tert-butyl)-12-oxo-3,6,9-trioxa-13-azapentadecan-15-oyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide hydrochloride
MDL No. :	N/A

Safety of [ 2458220-05-6 ]

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Application In Synthesis of [ 2458220-05-6 ]

* 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.

Downstream synthetic route of [ 2458220-05-6 ]

[ 2458220-05-6 ] Synthesis Path-Downstream 1~11

1
[ 2925306-36-9 ]
[ 2458220-05-6 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride In 1,4-dioxane at 20℃; for 2h;
87.53 %	With hydrogenchloride In 1,4-dioxane; dichloromethane at 0 - 20℃;	5.1 Step 1. (2S,4R)-1-((S)-1-amino-14-(tert-butyl)-12-oxo-3,6,9-trioxa-13-azapentadecan-15-oyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide hydrochloride General procedure: (2S,4R)- 1 - ((S) - 1 -amino- 14-(tert-butyl)- 12-oxo-3,6,9-trioxa- 13-azapentadecan- 15- oyl)-4-hydroxy-N-((S)-l-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide hydrochloride was prepared from tert-butyl ((S)-14-((2S,4R)-4-hydroxy-2-(((S)-l-(4-(4- methylthiazol-5-yl)phenyl)ethyl)carbamoyl)pyrrolidine- 1 -carbonyl)- 15,15 -dimethyl- 12-oxo- 3.6.9-trioxa-13-azahexadecyl)carbamate (50 mg, 0.067 mmol) using Boc deprotection general procedure A (40 mg, 87.53% yield) as an Off-white sticky solid. LC-MS m/z 648.35 [M+H]+, Rt = 0.78 min.
87.53 %	With hydrogenchloride In 1,4-dioxane; dichloromethane at 0 - 20℃;	5.1 Step 1. (2S,4R)-1-((S)-1-amino-14-(tert-butyl)-12-oxo-3,6,9-trioxa-13-azapentadecan-15-oyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide hydrochloride General procedure: (2S,4R)- 1 - ((S) - 1 -amino- 14-(tert-butyl)- 12-oxo-3,6,9-trioxa- 13-azapentadecan- 15- oyl)-4-hydroxy-N-((S)-l-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide hydrochloride was prepared from tert-butyl ((S)-14-((2S,4R)-4-hydroxy-2-(((S)-l-(4-(4- methylthiazol-5-yl)phenyl)ethyl)carbamoyl)pyrrolidine- 1 -carbonyl)- 15,15 -dimethyl- 12-oxo- 3.6.9-trioxa-13-azahexadecyl)carbamate (50 mg, 0.067 mmol) using Boc deprotection general procedure A (40 mg, 87.53% yield) as an Off-white sticky solid. LC-MS m/z 648.35 [M+H]+, Rt = 0.78 min.

References: [1]Wang, Mingliang; Lu, Jianfeng; Wang, Mi; Yang, Chao-Yie; Wang, Shaomeng [Journal of Medicinal Chemistry, 2020, vol. 63, # 14, p. 7510 - 7528].
[2]Current Patent Assignee: RELAY THERAPEUTICS - WO2023/81759, 2023, A1 Location in patent: Paragraph 2077; 2133.
[3]Current Patent Assignee: RELAY THERAPEUTICS - WO2023/81759, 2023, A1 Location in patent: Paragraph 2077; 2133.

2
[ 2458220-03-4 ]
[ 2458220-05-6 ]
[ CAS Unavailable ]