satavaptan - Moligand™ , Antagonist of V 1A receptor;Antagonist of V 1B receptor;Antagonist of V 2 receptor, CAS No.185913-78-4, Antagonist of V 1A receptor;Antagonist of V 1B receptor;Antagonist of V 2 receptor

CAS: 185913-78-4 Cat. No.: S613433 Formula: C33H45N3O8S Molecular Weight: 643.79 EC Number: 686-166-0
AVAILABLE TO ORDER
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
Q27454691 | DTXSID60870165 | SR-121463F | N-tert-Butyl-4-{5'-ethoxy-4-[2-(morpholin-4-yl)ethoxy]-2'-oxospiro[cyclohexane-1,3'-indole]-1'(2'H)-sulfonyl}-3-methoxybenzamide | 4-{[(1s,4s)-5'-Ethoxy-4-[2-(4-morpholinyl)ethoxy]-2'-oxospiro[cyclohexane-1,3'-ind
Storage
Room temperature
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Size
Germany (EU)
USA*
Price
Qty
5mg
S613433-5mg
Made to order · 8–12 wks
€694.10
25mg
S613433-25mg
Made to order · 8–12 wks
€1,488.09
Enter a quantity for the sizes you want to add.
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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 Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
Q27454691 | DTXSID60870165 | SR-121463F | N-tert-Butyl-4-{5'-ethoxy-4-[2-(morpholin-4-yl)ethoxy]-2'-oxospiro[cyclohexane-1,3'-indole]-1'(2'H)-sulfonyl}-3-methoxybenzamide | 4-{[(1s,4s)-5'-Ethoxy-4-[2-(4-morpholinyl)ethoxy]-2'-oxospiro[cyclohexane-1,3'-ind
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Antagonist of V 1A receptor;Antagonist of V 1B receptor;Antagonist of V 2 receptor
Names and Identifiers
Canonical SmilesCCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C
IUPAC Name4-{[(1s,4s)-5'-Ethoxy-4-[2-(4-morpholinyl)ethoxy]-2'-oxospiro[cyclohexane-1,3'-indol]-1'(2'H)-yl]sulfonyl}-3-methoxy-N-(2-methyl-2-propanyl)benzamide
InChIKeyQKXJWFOKVQWEDZ-VCCCEUOBSA-N
INCHI1S/C33H45N3O8S/c1-6-43-25-8-9-27-26(22-25)33(13-11-24(12-14-33)44-20-17-35-15-18-42-19-16-35)31(38)36(27)45(39,40)29-10-7-23(21-28(29)41-5)30(37)34-32(2,3)4/h7-10,21-22,24H,6,11-20H2,1-5H3,(H,34,37)/t24-,33+
Isomeric SMILES CCOC1=CC2=C(C=C1)N(C(=O)C23CCC(CC3)OCCN4CCOCC4)S(=O)(=O)C5=C(C=C(C=C5)C(=O)NC(C)(C)C)OC
Molecular Weight 643.79
Reaxy-Rn 9602759
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9602759&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

3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
AVPR1A Tclin Vasopressin V1a receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AVPR1B Tclin Vasopressin V1b receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AVPR2 Tclin Vasopressin V2 receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight643.800 g/mol
XLogP33.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass643.293 Da
Monoisotopic Mass643.293 Da
Topological Polar Surface Area132.000 Ų
Heavy Atom Count45
Formal Charge0
Complexity1120.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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