Tegaserod - Moligand™ , Antagonist of 5-HT 2B receptor;Agonist of 5-HT 4 receptor, CAS No.145158-71-0, Antagonist of 5-HT 2B receptor;Agonist of 5-HT 4 receptor

CAS: 145158-71-0 Cat. No.: T333485 Formula: C16H23N5O Peso molecolare: 301.39 PubChem CID: 135409453
Disponibile su ordine
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
AKOS015899855 | 458VC51857 | MLS001401406 | Q27271258 | LP00158 | NCGC00160417-01 | J-008063 | tegaserodum | 2-[(5-methoxy-2,3-dihydro-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide | HMS1922J08 | (2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-p
Storage
Room temperature
Shipped In
Normal
Size
Germania (EU)
USA*
Price
Qty
100mg
T333485-100mg
Su ordinazione · 8–12 settimane
678,49€
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinonimi
AKOS015899855 | 458VC51857 | MLS001401406 | Q27271258 | LP00158 | NCGC00160417-01 | J-008063 | tegaserodum | 2-[(5-methoxy-2,3-dihydro-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide | HMS1922J08 | (2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-p
Specifiche e purezza
Moligand™
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
Normal
Grado
Moligand™
Tipo di azione
AGONIST, ANTAGONIST
Meccanismo d'azione
Antagonist of 5-HT 2B receptor;Agonist of 5-HT 4 receptor
Proprietà del prodotto
pKapKₐ: 9.65 (Predicted)
Dati KiSR-4: Ki= 3.98 nM (human); SR-3A: Ki>10 μM (human)
Nomi e identificatori
Sorrisi canoniciCCCCCN=C(N)NN=CC1=CNC2=C1C=C(C=C2)OC
IUPAC Name1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
InChIKeyIKBKZGMPCYNSLU-RGVLZGJSSA-N
INCHI1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+
Isomeri SMILES CCCCCN=C(N)N/N=C/C1=CNC2=C1C=C(C=C2)OC
PubChem CID 135409453
Peso molecolare 301.39

Documentazione

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseIndoles and derivatives
SubclassIndoles
Intermediate Tree Nodes Not available
Direct ParentIndoles
Alternative Parents Anisoles  Alkyl aryl ethers  Substituted pyrroles  Heteroaromatic compounds  Guanidines  Carboximidamides  Azacyclic compounds  Organopnictogen compounds  Imines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indole - Anisole - Alkyl aryl ether - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Guanidine - Azacycle - Ether - Carboximidamide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Imine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors guanidines - indoles - carboxamidine - hydrazines
Struttura 3D
Modello di struttura chimica interattiva





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HTR4 Tclin 5-hydroxytryptamine receptor 4 (10 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR3A Tclin 5-hydroxytryptamine receptor 3A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR2B Tclin 5-hydroxytryptamine receptor 2B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
F2 Tclin Thrombin (11687 Activities)
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ESR1 Tclin Estrogen receptor alpha (17718 Activities)
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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
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PGR Tclin Progesterone receptor (8562 Activities)
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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)
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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD2 Tclin Dopamine D2 receptor (23596 Activities)
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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)
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MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)
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DRD1 Tclin Dopamine D1 receptor (9720 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD4 Tchem Dopamine D4 receptor (7907 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)
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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HRH2 Tclin Histamine H2 receptor (5428 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR1D Tclin Serotonin 1d (5-HT1d) receptor (2897 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
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AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)
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SLC6A4 Tclin Serotonin transporter (12625 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CRHR1 Tclin Corticotropin releasing factor receptor 1 (2996 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)
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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HRH1 Tclin Histamine H1 receptor (7573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRM1 Tclin Mu opioid receptor (19785 Activities)
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DRD3 Tclin Dopamine D3 receptor (14368 Activities)
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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)
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OPRD1 Tclin Delta opioid receptor (15096 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 Activities)
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HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GCGR Tclin Glucagon receptor (2563 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR4 Tclin Serotonin 4 (5-HT4) receptor (2068 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE3A Tclin Phosphodiesterase 3A (3309 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR2 Tclin Estrogen receptor beta (9272 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC29A1 Tclin Equilibrative nucleoside transporter 1 (1711 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Obiettivi associati (non umani)
Htr7 Serotonin 7 (5-HT7) receptor (19 Activities)
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Mc4r Melanocortin receptor 4 (1205 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Npy1r Neuropeptide Y receptor type 1 (8 Activities)
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Cckar Cholecystokinin A receptor (90 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ntsr1 Neurotensin receptor 1 (48 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pde4d Phosphodiesterase 4D (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bdkrb1 Bradykinin B1 receptor (77 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Npffr1 Neuropeptide FF receptor 1 (7 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Npffr2 Neuropeptide FF receptor 2 (102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
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Cavia porcellus (23802 Activities)
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Rattus norvegicus (775804 Activities)
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Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
SolubilitàSoluble in water (slightly).
Indice di rifrazionen20D1.60 (Predicted)
Punto di ebollizione (°C)~470.6° C at 760 mmHg (Predicted)
Punto di fusione (°C)198.15° C (Predicted)
Peso molecolare301.390 g/mol
XLogP32.600
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass301.19 Da
Monoisotopic Mass301.19 Da
Topological Polar Surface Area87.800 Ų
Heavy Atom Count22
Formal Charge0
Complexity385.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

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