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PA-824 - Moligand™, 10mM in DMSO , CAS No.187235-37-6

CAS: 187235-37-6 Cat. No.: P422290 Formule: C14H12F3N3O5 Poids moléculaire: 359.26 Numéro CE: 998-849-3
COA
PA-824 - Moligand™, 10mM in DMSO CAS No(187235-37-6) by Aladdin Scientific
DISPONIBLE À COMMANDE
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. 10mM in DMSO
Synonyms
Pretomanid|PA-824|187235-37-6|PA 824|PA824|(S)-2-Nitro-6-((4-(trifluoromethoxy)benzyl)oxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine|(S)-PA 824|UNII-2XOI31YC4N|2XOI31YC4N|PA-824(Pretomanid)|CHEMBL227875|MFCD06809939|MMV688755|(6S)-2-nitro-6-[[4-(trifluoro
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Allemagne (EU)
USA*
Price
Qty
1ml
P422290-1ml
—
1 En stock

110,98€

162,18€
Enregistrer 51,20 € (31.57%)
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Propriétés du produit Noms et identifiants Documentation Advanced Data Taxonomic Classification Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Calculateurs de solution Avis
🧪
Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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

Synonymes
Pretomanid | PA-824 | 187235-37-6 | PA 824 | PA824 | (S)-2-Nitro-6-((4-(trifluoromethoxy)benzyl)oxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine | (S)-PA 824 | UNII-2XOI31YC4N | 2XOI31YC4N | PA-824(Pretomanid) | CHEMBL227875 | MFCD06809939 | MMV688755 | (6S)-2-nitro-6-[[4-(trifluoro
Spécifications et pureté
Moligand™, 10mM in DMSO
Conditions de stockage de stockage
Store at -80°C
Expédié en
Dry ice packs + Cold packs
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Grade
Moligand™
Type d'action
INHIBITOR
Propriétés du produit
ALogP
2.8
Noms et identifiants
Pubchem Sid
528766530
Sourires canoniques
C1C(COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F
IUPAC Name
(6S)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
InChIKey
ZLHZLMOSPGACSZ-NSHDSACASA-N
INCHI
1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1
Isomères SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F
Poids moléculaire
359.26
Reaxy-Rn
12928355
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12928355&ln=

Documentation

📋 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
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassBenzylethers
Intermediate Tree Nodes Not available
Direct ParentBenzylethers
Alternative Parents Phenoxy compounds  Phenol ethers  Nitroimidazoles  Nitroaromatic compounds  Alkyl aryl ethers  N-substituted imidazoles  Imidolactams  Heteroaromatic compounds  Trihalomethanes  Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Azacyclic compounds  Dialkyl ethers  Organic oxoazanium compounds  Hydrocarbon derivatives  Organic oxides  Organofluorides  Organonitrogen compounds  Alkyl fluorides  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzylether - Phenoxy compound - Nitroaromatic compound - Nitroimidazole - Phenol ether - Alkyl aryl ether - N-substituted imidazole - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Trihalomethane - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Oxacycle - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Halomethane - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Alkyl fluoride - Organic oxide - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





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ESR1 Tclin Estrogen receptor alpha (17718 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)
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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)
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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)
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AR Tclin Androgen Receptor (11781 Activities)
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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
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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)
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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)
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DRD1 Tclin Dopamine D1 receptor (9720 Activities)
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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)
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HRH2 Tclin Histamine H2 receptor (5428 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)
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AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)
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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
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AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)
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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)
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OPRM1 Tclin Mu opioid receptor (19785 Activities)
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DRD3 Tclin Dopamine D3 receptor (14368 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
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
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
CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB3 Tclin Beta-3 adrenergic receptor (5850 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EDNRB Tclin Endothelin receptor ET-B (1928 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EDNRA Tclin Endothelin receptor ET-A (5008 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TACR1 Tclin Neurokinin 1 receptor (6273 Activities)
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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
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Cibles associées (non humaines)
Htr7 Serotonin 7 (5-HT7) receptor (19 Activities)
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Npy1r Neuropeptide Y receptor type 1 (8 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cckar Cholecystokinin A receptor (90 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ntsr1 Neurotensin receptor 1 (48 Activities)
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Pde4d Phosphodiesterase 4D (4 Activities)
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Bdkrb1 Bradykinin B1 receptor (77 Activities)
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Hdac6 Histone deacetylase 6 (222 Activities)
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Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
SensibilitéHeat Sensitive
Rotation spécifique [α]-46° (C=1,MeOH)
Point de fusion (°C)150 °C
Poids moléculaire359.260 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass359.073 Da
Monoisotopic Mass359.073 Da
Topological Polar Surface Area91.300 Ų
Heavy Atom Count25
Formal Charge0
Complexity468.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
Avis

Avis des clients

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