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Teduglutide

CAT: 1568-C14554-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C14554-03Size:100 mg
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CAS Number
197922-42-2
Synonyms
ALX-0600, Gattex, Revestive, TAK 633
SKU
C14554-5mg
Target
Glucagon Receptor
Applications
GPCR & G Protein
Smiles
CCC (C) C (NC (=O) C (CC (C) C) NC (=O) C (CC1=C[NH]C2=CC=CC=C12) NC (=O) C (CC (N) =O) NC (=O) C (NC (=O) C (CC3=CC=CC=C3) NC (=O) C (CC (O) =O) NC (=O) C (CCCNC (N) =N) NC (=O) C (C) NC (=O) C (C) NC (=O) C (CC (C) C) NC (=O) C (CC (N) =O) NC (=O) C (CC (O) =O) NC (=O) C (CC (C) C) NC (=O) C (NC (=O) C (NC (=O) C (CC (N) =O) NC (=O) C (CCSC) NC (=O) C (CCC (O) =O) NC (=O) C (CC (O) =O) NC (=O) C (CO) NC (=O) C (CC4=CC=CC=C4) NC (=O) C (CO) NC (=O) CNC (=O) C (CC (O) =O) NC (=O) CNC (=O) C (N) CC5=CN=C[NH]5) C (C) O) C (C) CC) C (C) CC) C (=O) NC (CCC (N) =O) C (=O) NC (C (C) O) C (=O) NC (CCCCN) C (=O) NC (C (C) CC) C (=O) NC (C (C) O) C (=O) NC (CC (O) =O) C (O) =O
Molecular Formula
C164H252N44O55S
Additionnal Information
Teduglutide (ALX-0600, Gattex, Revestive, TAK 633) is an analogue of human glucagon-like peptide-2 (GLP-2) and binds to the GLP-2 receptors. Teduglutide prolongs the intestinotrophic properties of GLP-2 in animal models.
Storage Conditions
3 years -20°C powder

Chemical Information

Teduglutide

Teduglutide is a 33-membered polypeptide consisting of His, Gly, Asp, Gly, Ser, Phe, Ser, Asp, Glu, Met, Asn, Thr, Ile, Leu, Asp, Asn, Leu, Ala, Ala, Arg, Asp, Phe, Ile, Asn, Trp, Leu, Ile, Gln, Thr, Lys, Ile, Thr and Asp residues joined in sequence. A glucagon-like peptide-2 receptor agonist used for the treatment of short-bowel syndrome. It has a role as an antioxidant, a metabolite, a protective agent and a glucagon-like peptide-2 receptor agonist.

CAS Number197922-42-2
PubChem CID16139605
IUPAC Name(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid
Molecular FormulaC164H252N44O55S
Molecular Weight3752.1
XLogP-15.2
Topological Polar Surface Area1650
Hydrogen Bond Donor Count55
Hydrogen Bond Acceptor Count60
Rotatable Bond Count126
Heavy Atom Count264
Formal Charge0
Complexity9030
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC5=CN=CN5)N
InChI
InChI=1S/C164H252N44O55S/c1-21-77(11)126(156(255)187-95(44-46-114(167)214)141(240)206-130(83(17)211)160(259)186-93(42-33-34-49-165)140(239)202-129(80(14)24-4)159(258)208-131(84(18)212)161(260)200-111(163(262)263)66-125(230)231)203-151(250)100(54-76(9)10)189-145(244)103(57-88-67-175-92-41-32-31-40-90(88)92)192-147(246)105(60-116(169)216)199-157(256)127(78(12)22-2)204-152(251)102(56-87-38-29-26-30-39-87)190-149(248)109(64-123(226)227)195-137(236)94(43-35-50-174-164(171)172)183-134(233)82(16)179-133(232)81(15)180-142(241)98(52-74(5)6)188-146(245)104(59-115(168)215)194-150(249)110(65-124(228)229)196-143(242)99(53-75(7)8)198-158(257)128(79(13)23-3)205-162(261)132(85(19)213)207-153(252)106(61-117(170)217)193-139(238)97(48-51-264-20)185-138(237)96(45-47-120(220)221)184-148(247)108(63-122(224)225)197-155(254)113(72-210)201-144(243)101(55-86-36-27-25-28-37-86)191-154(253)112(71-209)182-119(219)70-177-136(235)107(62-121(222)223)181-118(218)69-176-135(234)91(166)58-89-68-173-73-178-89/h25-32,36-41,67-68,73-85,91,93-113,126-132,175,209-213H,21-24,33-35,42-66,69-72,165-166H2,1-20H3,(H2,167,214)(H2,168,215)(H2,169,216)(H2,170,217)(H,173,178)(H,176,234)(H,177,235)(H,179,232)(H,180,241)(H,181,218)(H,182,219)(H,183,233)(H,184,247)(H,185,237)(H,186,259)(H,187,255)(H,188,245)(H,189,244)(H,190,248)(H,191,253)(H,192,246)(H,193,238)(H,194,249)(H,195,236)(H,196,242)(H,197,254)(H,198,257)(H,199,256)(H,200,260)(H,201,243)(H,202,239)(H,203,250)(H,204,251)(H,205,261)(H,206,240)(H,207,252)(H,208,258)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,262,263)(H4,171,172,174)/t77-,78-,79-,80-,81-,82-,83+,84+,85+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,126-,127-,128-,129-,130-,131-,132-/m0/s1
InChIKey
CILIXQOJUNDIDU-ASQIGDHWSA-N
Chemical Structure
2D Structure
2D structure of Teduglutide
CAS: 197922-42-2
CID: 16139605
Formula: C164H252N44O55S
MW: 3752.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3752.1
XLogP3-15.2
Hydrogen Bond Donor Count55
Hydrogen Bond Acceptor Count60
Rotatable Bond Count126
Exact Mass3750.8028943
Monoisotopic Mass3749.7995395
Topological Polar Surface Area1650 Ų
Heavy Atom Count264
Formal Charge0
Complexity9030
Isotope Atom Count0
Defined Atom Stereocenter Count38
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T35337-01Teduglutide
466915Teduglutide discontinued
A22768-10Teduglutide 10mg
MBS5784828Teduglutide acetate
AR-T04141-01Teduglutide-d8
T81025-01Teduglutide TFA
HY-P1624ATeduglutide (TFA)
A22768-25Teduglutide 25mg
PP50564-01Teduglutide trifluoroacetate
A22768-5Teduglutide 5mg

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