MPS-Gαi3 is a potent inhibitor targeting the G protein subunit alpha i3. With its high affinity and selectivity, MPS-Gαi3 is extensively employed in biomedicine for studying GPCR-mediated signaling pathways. It plays a pivotal role in investigating diseases involving Gαi3, such as cardiovascular disorders, cancers, and neurological conditions, contributing to novel therapeutic interventions.
CAT No: GR2159
CAS No: 439223-21-9
Chemical Name: (4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-5-[[(2R)-1-[[2-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
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M.F/Formula | C120H205N29O31S |
M.W/Mr. | 2582.15 |
Sequence | H-Ala-Ala-Val-Ala-Leu-Leu-Pro-Ala-Val-Leu-Leu-Ala-Leu-Leu-Ala-Lys-Asn-Asn-Leu-Lys-Glu-Cys-Gly-Leu-Tyr-OH |
InChI | InChI=1S/C120H205N29O31S/c1-57(2)44-78(109(168)145-88(120(179)180)52-73-35-37-74(150)38-36-73)132-93(153)55-126-103(162)89(56-181)146-106(165)77(39-40-94(154)155)135-104(163)76(33-28-30-42-122)134-110(169)83(49-62(11)12)140-114(173)86(54-92(125)152)142-115(174)85(53-91(124)151)141-105(164)75(32-27-29-41-121)133-98(157)68(22)128-107(166)79(45-58(3)4)138-111(170)81(47-60(7)8)136-99(158)69(23)129-108(167)80(46-59(5)6)139-112(171)84(50-63(13)14)143-118(177)96(66(19)20)148-102(161)72(26)130-116(175)90-34-31-43-149(90)119(178)87(51-64(15)16)144-113(172)82(48-61(9)10)137-100(159)70(24)131-117(176)95(65(17)18)147-101(160)71(25)127-97(156)67(21)123/h35-38,57-72,75-90,95-96,150,181H,27-34,39-56,121-123H2,1-26H3,(H2,124,151)(H2,125,152)(H,126,162)(H,127,156)(H,128,166)(H,129,167)(H,130,175)(H,131,176)(H,132,153)(H,133,157)(H,134,169)(H,135,163)(H,136,158)(H,137,159)(H,138,170)(H,139,171)(H,140,173)(H,141,164)(H,142,174)(H,143,177)(H,144,172)(H,145,168)(H,146,165)(H,147,160)(H,148,161)(H,154,155)(H,179,180)/t67-,68-,69-,70-,71-,72-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,95-,96-/m0/s1 |
InChI Key | PASXXILKKBWILJ-WEIPZPPTSA-N |
Canonical SMILES | CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)CNC(=O)C(CS)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(C)N |
Isomeric SMILES | C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)N |
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