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Physicochemical Properties
| Molecular Formula | C214H324N58O63S |
| Molecular Weight | 4749.40 |
| Exact Mass | 4390.186 |
| CAS # | 1802086-25-4 |
| PubChem CID | 171397201 |
| Appearance | White to off-white solid powder |
| LogP | -22.4 |
| Hydrogen Bond Donor Count | 61 |
| Hydrogen Bond Acceptor Count | 66 |
| Rotatable Bond Count | 150 |
| Heavy Atom Count | 311 |
| Complexity | 10700 |
| Defined Atom Stereocenter Count | 39 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)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](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC7=CNC=N7)C(=O)N[C@@H](CC(=O)N)C=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC9=CC=CC=C9)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N |
| InChi Key | QYLDDJIZEWSFPS-YUZGIZTPSA-N |
| InChi Code | InChI=1S/C199H298N54O57S/c1-17-102(10)162(253-194(305)147(96-256)247-181(292)133(76-110-53-55-116(258)56-54-110)234-189(300)145(87-160(275)276)243-193(304)146(95-255)248-198(309)164(104(12)19-3)252-192(303)135(75-109-42-24-21-25-43-109)244-199(310)165(107(15)257)249-155(266)93-216-168(279)119(205)57-64-156(267)268)196(307)221-106(14)167(278)225-130(65-71-311-16)176(287)241-142(84-157(269)270)187(298)229-126(52-34-39-70-204)177(288)251-163(103(11)18-2)197(308)245-139(80-114-91-213-98-219-114)184(295)231-128(59-62-149(207)260)174(285)230-129(60-63-150(208)261)175(286)240-143(85-158(271)272)188(299)235-134(74-108-40-22-20-23-41-108)191(302)250-161(101(8)9)195(306)246-141(83-153(211)264)186(297)236-137(78-112-89-215-121-47-29-27-45-118(112)121)183(294)233-132(73-100(6)7)180(291)232-131(72-99(4)5)178(289)220-105(13)166(277)224-127(58-61-148(206)259)173(284)226-122(48-30-35-66-200)169(280)217-92-154(265)223-123(49-31-36-67-201)170(281)227-124(50-32-37-68-202)172(283)239-140(82-152(210)263)185(296)242-144(86-159(273)274)190(301)237-136(77-111-88-214-120-46-28-26-44-117(111)120)182(293)228-125(51-33-38-69-203)171(282)238-138(79-113-90-212-97-218-113)179(290)222-115(94-254)81-151(209)262/h20-29,40-47,53-56,88-91,94,97-107,115,119,122-147,161-165,214-215,255-258H,17-19,30-39,48-52,57-87,92-93,95-96,200-205H2,1-16H3,(H2,206,259)(H2,207,260)(H2,208,261)(H2,209,262)(H2,210,263)(H2,211,264)(H,212,218)(H,213,219)(H,216,279)(H,217,280)(H,220,289)(H,221,307)(H,222,290)(H,223,265)(H,224,277)(H,225,278)(H,226,284)(H,227,281)(H,228,293)(H,229,298)(H,230,285)(H,231,295)(H,232,291)(H,233,294)(H,234,300)(H,235,299)(H,236,297)(H,237,301)(H,238,282)(H,239,283)(H,240,286)(H,241,287)(H,242,296)(H,243,304)(H,244,310)(H,245,308)(H,246,306)(H,247,292)(H,248,309)(H,249,266)(H,250,302)(H,251,288)(H,252,303)(H,253,305)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)/t102-,103-,104-,105-,106-,107+,115-,119-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,161-,162-,163-,164-,165-/m0/s1 |
| Chemical Name | (4S)-4-amino-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-4-amino-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | Dipeptidyl peptidase IV (DPP IV) quickly breaks down the incretin hormone GIP in the bloodstream to produce the N-terminally truncated peptide GIP(3-42)[1]. |
| References |
[1]. Evidence that the major degradation product of glucose-dependent insulinotropic polypeptide, GIP(3-42), is a GIP receptor antagonist in vivo. J Endocrinol. 2002 Nov;175(2):525-33. [2]. GIP-(3-42) does not antagonize insulinotropic effects of GIP at physiological concentrations. Am J Physiol Endocrinol Metab. 2006 Sep;291(3):E468-75. |
Solubility Data
| Solubility (In Vitro) |
DMSO: 100 mg/mL (21.06 mM) H2O: 50 mg/mL (10.53 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 10 mg/mL (2.11 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.2106 mL | 1.0528 mL | 2.1055 mL | |
| 5 mM | 0.0421 mL | 0.2106 mL | 0.4211 mL | |
| 10 mM | 0.0211 mL | 0.1053 mL | 0.2106 mL |