Super-TDU

Super-TDU is a specific YAP antagonist targeting YAP-TEADs interaction. Super-TDU suppresses tumor growth in gastric cancer mouse model.

Product information

CAS Number: 1599441-71-0

Molecular Weight: 5279.94

Formula: C237H370N66O69S

Chemical Name: (4S)-5-amino-4-[[(2S)-1-[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S, 3S)-2-[2-[(3S)-6-amino-1-[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S, 3S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-4-amino-2-[[2-[[(2S)-2-[[2-[[2-[[(2S, 3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S, 3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-3-carboxy-2-[[(2S)-2-[2-[(2S)-1-hydroxy-3-oxopropan-2-yl]hydrazinyl]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1, 2, 6-trioxohexan-3-yl]hydrazinyl]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid

Smiles: CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CC1C=CC=CC=1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NN[C@@H](CO)C=O)C(C)C)[C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)C(=O)[C@H](CCC(N)=O)NN[C@@H]([C@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)N[C@@H](CC1C=CC=CC=1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O

InChiKey: VNAMPXYTTUOEFP-JROLOVBZSA-N

InChi: InChI=1S/C237H370N66O69S/c1-23-125(16)189(291-206(343)146(72-75-174(243)313)270-209(346)151(93-120(6)7)277-212(349)155(98-134-106-254-138-58-34-33-57-137(134)138)284-228(365)191(129(20)310)293-218(355)158(102-182(322)323)262-179(318)110-256-198(335)149(91-118(2)3)275-219(356)165(115-307)287-203(340)141(59-35-39-78-238)266-196(333)126(17)260-207(344)152(95-131-51-27-24-28-52-131)278-213(350)156(99-135-107-251-117-259-135)281-214(351)159(103-183(324)325)282-215(352)161(105-185(328)329)285-226(363)186(122(10)11)296-294-136(112-304)113-305)225(362)258-108-177(316)255-109-178(317)264-164(114-306)199(336)257-111-180(319)263-163(101-176(245)315)232(369)300-86-46-66-168(300)222(359)271-143(61-37-41-80-240)205(342)292-190(128(19)309)227(364)261-127(18)197(334)274-157(100-175(244)314)217(354)289-187(123(12)13)234(371)298-84-45-65-167(298)194(331)193(330)139(71-74-173(242)312)295-297-192(130(21)311)229(366)290-188(124(14)15)235(372)302-88-49-69-171(302)223(360)272-147(77-90-373-22)204(341)268-145(64-44-83-253-237(249)250)201(338)276-150(92-119(4)5)208(345)269-144(63-43-82-252-236(247)248)200(337)267-142(60-36-40-79-239)202(339)286-162(94-121(8)9)231(368)299-85-47-67-169(299)224(361)283-160(104-184(326)327)216(353)288-166(116-308)220(357)280-154(97-133-55-31-26-32-56-133)211(348)279-153(96-132-53-29-25-30-54-132)210(347)273-148(62-38-42-81-241)230(367)303-89-50-70-172(303)233(370)301-87-48-68-170(301)221(358)265-140(195(246)332)73-76-181(320)321/h24-34,51-58,106-107,112,117-130,136,139-172,186-192,254,294-297,305-311H,23,35-50,59-105,108-111,113-116,238-241H2,1-22H3,(H2,242,312)(H2,243,313)(H2,244,314)(H2,245,315)(H2,246,332)(H,251,259)(H,255,316)(H,256,335)(H,257,336)(H,258,362)(H,260,344)(H,261,364)(H,262,318)(H,263,319)(H,264,317)(H,265,358)(H,266,333)(H,267,337)(H,268,341)(H,269,345)(H,270,346)(H,271,359)(H,272,360)(H,273,347)(H,274,334)(H,275,356)(H,276,338)(H,277,349)(H,278,350)(H,279,348)(H,280,357)(H,281,351)(H,282,352)(H,283,361)(H,284,365)(H,285,363)(H,286,339)(H,287,340)(H,288,353)(H,289,354)(H,290,366)(H,291,343)(H,292,342)(H,293,355)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H4,247,248,252)(H4,249,250,253)/t125-,126-,127-,128+,129+,130+,136-,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,186+,187+,188+,189+,190+,191+,192+/m1/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: To be determined

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥360 days if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

Super-TDU downregulates expression of YAP-TEADs target genes CTGF, CYR61, and CDX2. Super-TDU inhibits cell viability and colony formation of GC cell lines MGC-803, BGC-823, and HGC27.

In Vivo:

Super-TDU (intravenous injection; 50 μg/kg or 500 μg/kg; per day) markedly decreases the sizes, weights of tumors, and YAP target genes in a dose-dependent manner in mice. Super-TDU (intravenous injection; 250 μg/kg 500 μg/kg) has the t1/2α of 0.78 hours and 0.82 hours; the Cmax of 6.12 ng/mL and 13.3 ng/mL; the CL of 7.41 ml/min/kg and 7.72 ml/min/kg for 250 μg/kg and 500 μg/kg in mice, respectively.

References:

1. Jiao S, et al. A peptide mimicking VGLL4 function acts as a YAP antagonist therapy against gastric cancer. Cancer Cell. 2014 Feb 10;25(2):166-80.

Products are for research use only. Not for human use.