按需合成的共价化合物库

Covalent Library(On-Demand Synthesis)

产品编号： AN2400

在Asinex，我们开发了一个虚拟库，允许灵活的合成和"按需"交付。目前的12000多实体的虚拟库是通过将一组具有代表性的一级和二级胺与含有靶向半胱氨酸的共价弹头部分的选择性酸和芳基溴化物耦合来创建的。这个虚拟库是通过将现货的一级和二级胺与选定的酸和含有硫醇靶点的芳基溴化物耦合而创建的。一步法合成方案允许我们合成目标分子，从而实现了在典型的10到100个化合物的订单选择高交付率，将化学空间引导至感兴趣的分子进行定制合成的想法正变得越来越受欢迎，如果所需的分子是相对不稳定的，并且需要获得可重复的结果，那么"按需"方法是一种有吸引力的策略，特别是具有亲电性共价反应基团(也被称为'弹头')的分子，常用于共价靶向蛋白质和核酸。具有讽刺意味的是，许多此类分子已经被贴上了"多用途结合物"的标签，并被刻意从商业可获得的筛选库中剔除。

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陶术生物化合物库目录(28.1MB)

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The virtual library has been created by coupling a representative set of in-stock primary and secondary amines with selected acids and aryl bromides containing a covalent warhead moiety targeting Cys.
The one-step synthetic protocol allows us to synthesize the target molecule translating into a high delivery rate for a typical order selection of 10 to 100 molecules. The idea of navigating chemical space to cherry-pick molecules of interest for custom synthesis is gaining popularity in the drug discovery community.
The “on-demand” approach is an attractive strategy if the desired molecule is relatively unstable and a freshly made sample is important for obtaining reproducible results. This is especially true of molecules that have an electrophilic covalent reactive group (also called a “warhead”) which are commonly used for the covalent targeting of proteins and nucleic acids. Ironically, many such molecules have been labeled “promiscuous binders” and deliberately eliminated from commercially available screening collections.

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Empty	1000025-07-9	1000413-72-8	229005-80-5	1000787-75-6	946387-07-1	1000998-59-3	1175526-27-8	1001288-58-9	1001350-96-4	1001404-83-6	Empty
Empty	Vadadustat	TAK875	TAK-779	Tegobuvir	RN-1734	BMS-687453	AM211	FT011	BMS754807	AAI101	Empty
Empty	1001625-82-6	1001645-58-4	1001753-24-7	1001908-89-9	1002304-34-8	1002-84-2	100291-86-9	100299-08-9	10030-52-1	10040-45-6	Empty
Empty	RPW-24	SRT1720 hydrochloride	INH6	SRT 2183	AMG208	Pentadecanoic acid	Apiopaeonoside	Pemirolast potassium	L-Anserine nitrate salt	Sodium Picosulfate	Empty
Empty	100427-26-7	1004316-88-4	10045-45-1	100462-37-1	1004990-28-6	100-51-6	1005-24-9	1005264-47-0	1005334-57-5	1005342-46-0	Empty
Empty	Lercanidipine	Cobicistat	1-Ethyl-2-benzimidazolinone	ROSIRIDIN	PF-AKT400	Benzyl alcohol	1-Methylnicotinamide chloride	MX69	CVT-10216	LCL161	Empty
Empty	1005491-05-3	100-55-0	1005504-62-0	1005883-72-6	100643-71-8	1007207-67-1	10075-50-0	1007647-73-5	100784-20-1	10083-24-6	Empty
Empty	Tirasemtiv	Roniacol	Rg3039	Z433927330	Desloratadine	CH5132799	5-Bromoindole	Smurf1-IN-A01	Halosulfuron-methyl	Piceatannol	Empty
Empty	100872-83-1	100874-08-6	1009119-64-5	1009119-65-6	100929-71-3	1009298-09-2	1009298-59-2	100929-99-5	1009734-33-1	10097-84-4	Empty
Empty	ML346	SB 4	Daclatasvir	Daclatasvir dihydrochloride	NADPH (tetracyclohexanamine)	AZD8055	Vistusertib	PAβN dihydrochloride	HZ1157	Rotundine	Empty
Empty	1009816-48-1	1009817-63-3	1009820-21-6	100986-85-4	101001-34-7	1010411-21-8	1010-60-2	1011244-68-0	1011301-27-1	1011529-10-4	Empty
Empty	Thiamet G	B-AP15	Silmitasertib	Levofloxacin	Pamicogrel	GSK369796 Dihydrochloride	2-Chloronaphthoquinone	TFAP	Tenovin3	Azvudine	Empty
Empty	101152-94-7	101155-02-6	1011557-82-6	1011-74-1	101-20-2	1012054-59-9	101-21-3	101-26-8	101303-98-4	1013101-36-4	Empty
Empty	Milnacipran hydrochloride	BW-A78U	Tenovin-6	DL-Normetanephrine hydrochloride	Triclocarban	CUDC101	Chlorpropham	Mestinon	Zacopride hydrochloride	PF04691502	Empty
Empty	101-31-5	1013-69-0	1013750-77-0	1013753-99-5	10138-52-0	1013920-15-4	1013937-63-7	1014691-61-2	101477-54-7	101494-95-5	Empty
Empty	L-Hyoscyamine	Noreugenin	ML-030	BC-1382	Gadolinium chloride	Vorolanib	VTP-27999 TFA	GSK0660	Lomerizine hydrochloride	8-CHLOROQUINAZOLIN-4(1H)-ONE	Empty

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