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EC-1456

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Specification

Cat. No.

SMD171

Related Diseases

Anxiety

Product Name

EC-1456

Size

Customizable

Price

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Description

EC-1456 is an injectable small molecule drug conjugate composed of folate/folic acid (vitamin B9) bound to the anti-mitotic compound tubulysin B hydrazide.

CAS Number

1602487-16-0

Chemical Formula

C112H169N23O44S3

Exact Mass

2636.0856

Molecular Weight

2637.88

Elemental Analysis

C, 51.00; H, 6.46; N, 12.21; O, 26.69; S, 3.65

Synonym

EC-1456; EC 1456; EC1456

IUPAC/Chemical Name

CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(=O)C)c2nc(cs2)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCSSC[C@@H](NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)CC[C@@H](NC(=O)c3ccc(NCc4cnc5NC(=NC(=O)c5n4)N)cc3)C(=O)O)C(=O)O)Cc6ccc(O)cc6)C(C)C

InChi Key

VQYQFGJBFMQBOZ-BSZXITTFSA-N

InChi Code

InChI=1S/C112H169N23O44S3/c1-11-55(6)89(129-105(169)73-14-12-13-35-134(73)10)108(171)135(52-178-88(155)38-53(2)3)74(54(4)5)41-81(179-58(9)139)107-128-71(50-180-107)104(168)120-62(40-59-15-21-64(140)22-16-59)39-56(7)97(161)132-133-112(176)177-36-37-181-182-51-72(110(174)175)127-103(167)67(25-31-84(149)117-46-77(143)93(158)95(160)80(146)49-138)123-102(166)69(28-34-87(153)154)125-100(164)66(24-30-83(148)116-45-76(142)92(157)94(159)79(145)48-137)122-101(165)68(27-33-86(151)152)124-99(163)65(23-29-82(147)115-44-75(141)91(156)57(8)78(144)47-136)121-85(150)32-26-70(109(172)173)126-98(162)60-17-19-61(20-18-60)114-42-63-43-118-96-90(119-63)106(170)131-111(113)130-96/h15-22,43,50,53-57,62,65-70,72-81,89,91-95,114,136-138,140-146,156-160H,11-14,23-42,44-49,51-52H2,1-10H3,(H,115,147)(H,116,148)(H,117,149)(H,120,168)(H,121,150)(H,122,165)(H,123,166)(H,124,163)(H,125,164)(H,126,162)(H,127,167)(H,129,169)(H,132,161)(H,133,176)(H,151,152)(H,153,154)(H,172,173)(H,174,175)(H3,113,118,130,131,170)/t55-,56-,57+,62+,65-,66-,67-,68+,69+,70+,72+,73+,74+,75-,76-,77-,78+,79+,80+,81+,89-,91-,92+,93+,94+,95+/m0/s1

SMILES Code

CC[C@@H]([C@@H](C(N([C@@H](C(C)C)C[C@H](c1scc(C(N[C@@H](Cc2ccc(O)cc2)C[C@@H](C(NNC(OCCSSC[C@H](C(O)=O)NC([C@@H](NC([C@H](NC([C@@H](NC([C@H](NC([C@@H](NC(CC[C@H](C(O)=O)NC(c3ccc(NCc4nc5c(NC(N)=NC5=O)nc4)cc3)=O)=O)CCC(NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)C)O)O)=O)=O)CCC(O)=O)=O)CCC(NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)=O)=O)CCC(O)=O)=O)CCC(NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)=O)=O)=O)=O)C)=O)n1)OC(C)=O)COC(CC(C)C)=O)=O)NC([C@H]6CCCCN6C)=O)C

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

Stock Solution Storage

0 - 4℃ for short term (days to weeks), or -20℃ for long term (months).

HS Tariff Code

2934.99.9001

All of our services and products are intended for preclinical research use only and cannot be used to diagnose, treat or manage patients.