SRX246 - ≥98% , CAS No.512784-93-9

CAS: 512784-93-9 Cat. No.: S647190 분자식: C42H49N5O5 분자량: 703.87 PubChem CID: 44428550
주문 가능
GRADE & PURITY ≥98%
Synonyms
SCHEMBL14198966 | (2R)-4-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[(1R)-1-phenylethyl]-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide | DTXSID701032257 | SRX 246 | HY-105685 | SRX-246 | NSC7825
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
5mg
S647190-5mg
주문제작 · 8~12주
US$700.90
10mg
S647190-10mg
주문제작 · 8~12주
US$1,100.90
50mg
S647190-50mg
주문제작 · 8~12주
US$3,300.90
100mg
S647190-100mg
주문제작 · 8~12주
US$4,500.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

개요

SRX246 is a potent, CNS-penetrant, highly selective, orally bioavailable Vasotocin 1a (V1a) receptor antagonist ( K i =0.3 nM for human V1a). SRX246 has no interaction at V1b and V2 receptors. SRX246 also displays negligible binding at 64 others receptors classes, including 35 G-proteincoupled receptors. SRX246 can be used for treatment of stress-related disorders

In Vivo

SRX246 (2 mg/kg; i.v.) treatment shows that the C max , AUC 0-∞ and t 1/2 values are 953 ng/mL, 1141 ng ▪h/mL, and 6.02 hours, respectively, in plasma pharmacokinetics. Following an oral administration (dose 20 mg/kg), The C max , AUC 0-∞ and t 1/2 values are 98.4 ng/mL, 624 ng ▪h/mL and 2.38 hours, respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Sprague-Dawley rats Dosage: 2 mg/kg (20 mg/kg for p.o.) Administration: i.v. (Pharmacokinetic Analysis) Result: Following i.v. administration, the plasma concentration declined steadily with a half-life (t 1/2 ) of 6 hours. The C max and AUC 0-∞ values are 953 ng/mL, 1141 ng ▪h/mL, 6.02 hours. Following an oral administration, the C max , AUC 0-∞ and t 1/2 values 98.4 ng/mL, 624 ng ▪h/mL and 2.38 hours, respectively.

Form:Solid

IC50& Target:Ki: 0.3 nM (human Vasotocin 1a receptor)

Specifications

동의어
SCHEMBL14198966 | (2R)-4-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[(1R)-1-phenylethyl]-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide | DTXSID701032257 | SRX 246 | HY-105685 | SRX-246 | NSC7825
사양 및 순도
≥98%
생화학 및 생리적 메커니즘
SRX246 is a potent, CNS-penetrant, highly selective, orally bioavailable Vasotocin 1a (V1a) receptor antagonist ( K i =0.3 nM for human V1a). SRX246 has no interaction at V1b and V2 receptors. SRX246 also displays negligible binding at 64 others recepto
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
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순수함
≥98%
이름과 식별자
정식 스마일CC(C1=CC=CC=C1)NC(=O)C(CC(=O)N2CCC(CC2)N3CCCCC3)N4C(C(C4=O)N5C(COC5=O)C6=CC=CC=C6)C=CC7=CC=CC=C7
IUPAC Name(2R)-4-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[(1R)-1-phenylethyl]-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide
InChIKeyFJUKOXWSIGULLE-JVOQCOEYSA-N
INCHI1S/C42H49N5O5/c1-30(32-16-8-3-9-17-32)43-40(49)36(28-38(48)45-26-22-34(23-27-45)44-24-12-5-13-25-44)46-35(21-20-31-14-6-2-7-15-31)39(41(46)50)47-37(29-52-42(47)51)33-18-10-4-11-19-33/h2-4,6-11,14-21,30,34-37,39H,5,12-13,22-29H2,1H3,(H,43,49)/b21-20+/t30-,35-,36-,37-,39+/m1/s1
이성체 SMILES C[C@H](C1=CC=CC=C1)NC(=O)[C@@H](CC(=O)N2CCC(CC2)N3CCCCC3)N4[C@@H]([C@@H](C4=O)N5[C@H](COC5=O)C6=CC=CC=C6)/C=C/C7=CC=CC=C7
대체 CAS 512784-93-9
PubChem CID 44428550
MeSH 용어 SRX246
분자량 703.87

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
SuperclassOrganoheterocyclic compounds
분류Lactams
SubclassBeta lactams
Intermediate Tree Nodes Not available
Direct ParentMonobactams
Alternative Parents Asparagine and derivatives  N-acylpiperidines  Styrenes  Aminopiperidines  N-acyl amines  Oxazolidinones  Tertiary carboxylic acid amides  Carbamate esters  Secondary carboxylic acid amides  Trialkylamines  Azetidines  Azacyclic compounds  Oxacyclic compounds  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Monobactam - Asparagine or derivatives - Alpha-amino acid or derivatives - N-acyl-piperidine - Styrene - 4-aminopiperidine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Oxazolidinone - Piperidine - Benzenoid - Fatty acyl - Oxazolidine - Carbamic acid ester - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Azetidine - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
설명This compound belongs to the class of organic compounds known as monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another ring.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
AVPR1A Tclin Vasopressin V1a receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
용해성DMSO : 100 mg/mL (142.07 mM; Need ultrasonic)
분자량703.900 g/mol
XLogP35.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass703.373 Da
Monoisotopic Mass703.373 Da
Topological Polar Surface Area103.000 Ų
Heavy Atom Count52
Formal Charge0
Complexity1260.000
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
솔루션 계산기
리뷰

고객 리뷰

자주 묻는 질문

How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
What is the purity of this product?
This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 512784-93-9, the molecular formula is C42H49N5O5, and the molecular weight is 703.87 g/mol. InChIKey FJUKOXWSIGULLE-JVOQCOEYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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