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Exendin-4 (3-39)

CAT: 0931-T76290-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T76290-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
196109-31-6
Target
Glucagon Receptor
Related Pathways
GPCR/G Protein
Bioactivity
Exendin-4 (3-39) is a truncated peptide variant of Exendin-4, missing the initial two amino acids, and serves as a potent agonist for the Glucagon-like peptide-1 receptor (GLP-1r) . This compound, along with Exendin-4, is utilized in the study of diabetes and hypothalamic-pituitary-adrenal (HPA) axis disorders [1] [2].
Molecular Formula
C176H272N46O58S
Molecular Weight
3992.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Exendin-4 (3-39)
CAS Number196109-31-6
PubChem CID16136683
IUPAC Name(4S)-4-amino-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[2-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
Molecular FormulaC176H272N46O58S
Molecular Weight3992
XLogP-19.8
Topological Polar Surface Area1690
Hydrogen Bond Donor Count55
Hydrogen Bond Acceptor Count63
Rotatable Bond Count129
Heavy Atom Count281
Formal Charge0
Complexity9730
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C176H272N46O58S/c1-16-90(10)140(170(275)201-108(52-58-137(244)245)155(260)206-115(73-97-76-186-100-39-24-23-38-98(97)100)160(265)203-110(68-86(2)3)157(262)193-102(41-26-28-61-178)150(255)207-116(74-128(181)231)146(251)189-77-129(232)187-80-132(235)219-63-30-43-123(219)167(272)213-121(84-226)166(271)211-119(82-224)147(252)190-78-130(233)191-92(12)173(278)221-65-32-45-125(221)175(280)222-66-33-46-126(222)174(279)220-64-31-44-124(220)168(273)210-118(81-223)143(182)248)217-162(267)113(71-95-34-19-17-20-35-95)205-158(263)111(69-87(4)5)202-151(256)103(42-29-62-185-176(183)184)200-169(274)139(89(8)9)216-144(249)91(11)192-148(253)105(49-55-134(238)239)196-153(258)106(50-56-135(240)241)197-154(259)107(51-57-136(242)243)198-156(261)109(59-67-281-15)199-152(257)104(48-53-127(180)230)195-149(254)101(40-25-27-60-177)194-164(269)120(83-225)212-159(264)112(70-88(6)7)204-161(266)117(75-138(246)247)208-165(270)122(85-227)214-172(277)142(94(14)229)218-163(268)114(72-96-36-21-18-22-37-96)209-171(276)141(93(13)228)215-131(234)79-188-145(250)99(179)47-54-133(236)237/h17-24,34-39,76,86-94,99,101-126,139-142,186,223-229H,16,25-33,40-75,77-85,177-179H2,1-15H3,(H2,180,230)(H2,181,231)(H2,182,248)(H,187,232)(H,188,250)(H,189,251)(H,190,252)(H,191,233)(H,192,253)(H,193,262)(H,194,269)(H,195,254)(H,196,258)(H,197,259)(H,198,261)(H,199,257)(H,200,274)(H,201,275)(H,202,256)(H,203,265)(H,204,266)(H,205,263)(H,206,260)(H,207,255)(H,208,270)(H,209,276)(H,210,273)(H,211,271)(H,212,264)(H,213,272)(H,214,277)(H,215,234)(H,216,249)(H,217,267)(H,218,268)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H4,183,184,185)/t90-,91-,92-,93+,94+,99-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,139-,140-,141-,142-/m0/s1
InChIKey
ZCYIPGKMSDDSFW-TYVQEZQOSA-N
Chemical Structure
2D Structure
2D structure of Exendin-4 (3-39)
CAS: 196109-31-6
CID: 16136683
Formula: C176H272N46O58S
MW: 3992
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3992
XLogP3-19.8
Hydrogen Bond Donor Count55
Hydrogen Bond Acceptor Count63
Rotatable Bond Count129
Exact Mass3990.9502868
Monoisotopic Mass3989.9469320
Topological Polar Surface Area1690 Ų
Heavy Atom Count281
Formal Charge0
Complexity9730
Isotope Atom Count0
Defined Atom Stereocenter Count36
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TP1366-01Exendin-3/4 (59-86)
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Alternative Products

CatalogName
4027457.0500Exendin-4 (3-39)
E-PP-1121-01Exendin 4 (3-39)
PE-87196-01Exendin 4 (3-39) Peptide
GTR18894264Exendin-4 (3-39) amide
CRB1000423-01Exendin 4 (4-39)
CRB1000423-01Exendin 4 (4-39) - (Hormones)
sc-364387Exendin-3 (9-39)
GTR18894266Exendin-4 (9-39) amide
GTR18894265Exendin-4 (5-39) amide

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