Difopein

Difopein is dimeric version of R18 peptidean, and behaves as 14-3-3 protein inhibitor that competitively inhibits 14.3.3-ligand interactions and blocks the ability of 14.3.3 to bind to target proteins such as Raf-1, Bad, ASK1 and exoenzyme S.

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CAT#	R0911
CAS	396834-58-5
M.F/Formula	C273H424N76O89S6
M.W/Mr.	6387.17
Sequence	SADGAPHCVPRDLSWLDLEANMCLPGAAGLDSADGAPHCVPRDLSWLDLEANMCLPGAAGLE
Labeling Target	14.3.3 protein
Appearance	White lyophilised solid
Activity	Inhibitor

Storage	-20°C
Solubility	Soluble in DMSO
Long-term Storage Conditions	-20 °C
InChI	InChI=1S/C273H424N76O89S6/c1-122(2)79-160(233(399)313-159(271(437)438)63-66-206(366)367)305-202(360)110-287-216(382)134(25)299-218(384)136(27)295-198(356)108-291-259(425)190-55-43-73-346(190)267(433)181(87-130(17)18)333-255(421)186(116-439)338-231(397)157(67-77-443-35)309-245(411)172(93-196(275)354)314-221(387)139(30)302-227(393)155(61-64-204(362)363)307-235(401)162(81-124(5)6)320-249(415)178(99-211(376)377)329-237(403)165(84-127(11)12)319-242(408)169(90-145-103-286-152-52-40-38-50-149(145)152)325-254(420)185(115-353)337-240(406)167(86-129(15)16)323-248(414)177(98-210(374)375)327-230(396)154(54-42-70-284-273(279)280)312-262(428)195-60-48-76-349(195)270(436)215(133(23)24)343-258(424)189(119-442)341-244(410)171(92-147-105-282-121-294-147)332-264(430)193-58-46-72-345(193)266(432)143(34)298-201(359)107-290-226(392)175(96-208(370)371)317-223(389)141(32)304-252(418)183(113-351)335-251(417)180(101-213(380)381)328-234(400)161(80-123(3)4)306-203(361)111-288-217(383)135(26)300-219(385)137(28)296-199(357)109-292-260(426)191-56-44-74-347(191)268(434)182(88-131(19)20)334-256(422)187(117-440)339-232(398)158(68-78-444-36)310-246(412)173(94-197(276)355)315-222(388)140(31)303-228(394)156(62-65-205(364)365)308-236(402)163(82-125(7)8)321-250(416)179(100-212(378)379)330-238(404)164(83-126(9)10)318-241(407)168(89-144-102-285-151-51-39-37-49-148(144)151)324-253(419)184(114-352)336-239(405)166(85-128(13)14)322-247(413)176(97-209(372)373)326-229(395)153(53-41-69-283-272(277)278)311-261(427)194-59-47-75-348(194)269(435)214(132(21)22)342-257(423)188(118-441)340-243(409)170(91-146-104-281-120-293-146)331-263(429)192-57-45-71-344(192)265(431)142(33)297-200(358)106-289-225(391)174(95-207(368)369)316-220(386)138(29)301-224(390)150(274)112-350/h37-40,49-52,102-105,120-143,150,153-195,214-215,285-286,350-353,439-442H,41-48,53-101,106-119,274H2,1-36H3,(H2,275,354)(H2,276,355)(H,281,293)(H,282,294)(H,287,382)(H,288,383)(H,289,391)(H,290,392)(H,291,425)(H,292,426)(H,295,356)(H,296,357)(H,297,358)(H,298,359)(H,299,384)(H,300,385)(H,301,390)(H,302,393)(H,303,394)(H,304,418)(H,305,360)(H,306,361)(H,307,401)(H,308,402)(H,309,411)(H,310,412)(H,311,427)(H,312,428)(H,313,399)(H,314,387)(H,315,388)(H,316,386)(H,317,389)(H,318,407)(H,319,408)(H,320,415)(H,321,416)(H,322,413)(H,323,414)(H,324,419)(H,325,420)(H,326,395)(H,327,396)(H,328,400)(H,329,403)(H,330,404)(H,331,429)(H,332,430)(H,333,421)(H,334,422)(H,335,417)(H,336,405)(H,337,406)(H,338,397)(H,339,398)(H,340,409)(H,341,410)(H,342,423)(H,343,424)(H,362,363)(H,364,365)(H,366,367)(H,368,369)(H,370,371)(H,372,373)(H,374,375)(H,376,377)(H,378,379)(H,380,381)(H,437,438)(H4,277,278,283)(H4,279,280,284)/t134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,150-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,214-,215-/m0/s1
InChI Key	NTCJKZSYQTZRQE-CSMGIIAWSA-N
Isomeric SMILES	C[C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC5=CNC=N5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)N
BoilingPoint	N/A
Melting Point	N/A

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