Teriparatide acetate - Moligand™, 10mM in Water , CAS No.99294-94-7

CAS: 99294-94-7 Cat. No.: T424474 Molecular Weight: 4117.72(free) EC Number: 695-161-2

GRADE & PURITY Moligand™, 10mM in Water

Synonyms

Teriparatide acetate|Teriparatide acetate hydrate|52232-67-4|Teriparatide(Forteo)|EX-A7393|ZDA29494|AKOS034831562|Parathyroid hormone (1-34); rhPTH (1-34)|Human parathyroid hormone-(1-34);hPTH (1-34)|H-Ser-Val-Ser-Glu-Ile-Gln-Leu-Met-His-Asn-Leu-Gly-Lys-H

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Teriparatide acetate | Teriparatide acetate hydrate | 52232-67-4 | Teriparatide(Forteo) | EX-A7393 | ZDA29494 | AKOS034831562 | Parathyroid hormone (1-34); rhPTH (1-34) | Human parathyroid hormone-(1-34);hPTH (1-34) | H-Ser-Val-Ser-Glu-Ile-Gln-Leu-Met-His-Asn-Leu-Gly-Lys-H

Specifications & Purity

Moligand™, 10mM in Water

Biochemical and Physiological Mechanisms

Increases the concentration of calcium in the blood. Bone anabolic and catabolic agent. PTH receptor agonist that binds to the PTH1 receptor.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Names and Identifiers

• Canonical Smiles: CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(CC1=CNC=N1)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC2=CNC=N2)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC5=CNC=N5)C(=O)NC(CC(=O)N)C(=O)NC(CC6=CC=CC=C6)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CO)N
• IUPAC Name: 4-[[2-[[2-[[4-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[6-amino-1-[[1-[[5-amino-1-[[1-[[1-[[1-[[4-amino-1-[(1-carboxy-2-phenylethyl)amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-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-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
• InChIKey: OGBMKVWORPGQRR-UHFFFAOYSA-N
• INCHI: 1S/C181H291N55O51S2/c1-21-96(18)146(236-160(267)114(48-53-141(250)251)212-174(281)132(84-239)232-177(284)143(93(12)13)233-147(254)103(185)82-237)178(285)216-111(45-50-134(187)241)155(262)219-119(65-90(6)7)163(270)213-116(55-62-289-20)158(265)224-124(71-100-79-196-86-203-100)167(274)226-126(73-135(188)242)169(276)217-117(63-88(2)3)148(255)201-81-138(245)205-105(39-27-30-56-182)149(256)223-123(70-99-78-195-85-202-99)166(273)221-121(67-92(10)11)164(271)225-128(75-137(190)244)171(278)231-131(83-238)173(280)214-115(54-61-288-19)157(264)210-112(46-51-139(246)247)153(260)208-109(43-34-60-199-181(193)194)159(266)234-144(94(14)15)175(282)215-113(47-52-140(248)249)156(263)222-122(69-98-77-200-104-38-26-25-37-102(98)104)165(272)220-120(66-91(8)9)161(268)209-108(42-33-59-198-180(191)192)151(258)206-106(40-28-31-57-183)150(257)207-107(41-29-32-58-184)152(259)218-118(64-89(4)5)162(269)211-110(44-49-133(186)240)154(261)228-129(76-142(252)253)172(279)235-145(95(16)17)176(283)229-125(72-101-80-197-87-204-101)168(275)227-127(74-136(189)243)170(277)230-130(179(286)287)68-97-35-23-22-24-36-97/h22-26,35-38,77-80,85-96,103,105-132,143-146,200,237-239H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,195,202)(H,196,203)(H,197,204)(H,201,255)(H,205,245)(H,206,258)(H,207,257)(H,208,260)(H,209,268)(H,210,264)(H,211,269)(H,212,281)(H,213,270)(H,214,280)(H,215,282)(H,216,285)(H,217,276)(H,218,259)(H,219,262)(H,220,272)(H,221,273)(H,222,263)(H,223,256)(H,224,265)(H,225,271)(H,226,274)(H,227,275)(H,228,261)(H,229,283)(H,230,277)(H,231,278)(H,232,284)(H,233,254)(H,234,266)(H,235,279)(H,236,267)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,286,287)(H4,191,192,198)(H4,193,194,199)
• Alternate CAS: 52232-67-4
• Molecular Weight: 4117.72(free)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Class Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Class: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Arginine and derivatives Phenylalanine and derivatives Histidine and derivatives Pentacarboxylic acids and derivatives Glutamic acid and derivatives Glutamine and derivatives Isoleucine and derivatives Leucine and derivatives Methionine and derivatives Asparagine and derivatives Aspartic acid and derivatives N-acyl-alpha amino acids Valine and derivatives Tryptamines and derivatives Serine and derivatives Alpha amino acid amides Phenylpropanoic acids 3-alkylindoles Amphetamines and derivatives Imidazolyl carboxylic acids and derivatives N-acyl amines Substituted pyrroles Heteroaromatic compounds Amino acids Guanidines Primary carboxylic acid amides Secondary carboxylic acid amides Sulfenyl compounds Dialkylthioethers Azacyclic compounds Carboximidamides Carboxylic acids Hydrocarbon derivatives Primary alcohols Organic oxides Carbonyl compounds Monoalkylamines Imines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polypeptide - Alpha peptide - Arginine or derivatives - Phenylalanine or derivatives - Pentacarboxylic acid or derivatives - Histidine or derivatives - Glutamine or derivatives - Glutamic acid or derivatives - Leucine or derivatives - Isoleucine or derivatives - Aspartic acid or derivatives - Asparagine or derivatives - Methionine or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Serine or derivatives - Triptan - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - N-substituted-alpha-amino acid - 3-alkylindole - Indole or derivatives - Indole - Imidazolyl carboxylic acid derivative - Monocyclic benzene moiety - N-acyl-amine - Fatty acyl - Fatty amide - Substituted pyrrole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Pyrrole - Secondary carboxylic acid amide - Primary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Guanidine - Thioether - Carboximidamide - Sulfenyl compound - Dialkylthioether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Primary amine - Organic nitrogen compound - Organic oxygen compound - Imine - Primary aliphatic amine - Carbonyl group - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Organosulfur compound - Primary alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 4118.000 g/mol
• XLogP3: -18.700
• Hydrogen Bond Donor Count: 60
• Hydrogen Bond Acceptor Count: 62
• Rotatable Bond Count: 146
• Exact Mass: 4116.13 Da
• Monoisotopic Mass: 4115.13 Da
• Topological Polar Surface Area: 1800.000 Ų
• Heavy Atom Count: 289
• Formal Charge: 0
• Complexity: 9740.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 34
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1