SCH 563705 , CAS No.473728-58-4

CAS: 473728-58-4 Cat. No.: S649455 분자식: C23H27N3O5 분자량: 425.48 PubChem CID: 10310100
주문 가능
Synonyms
MS-27493 | AKOS016009722 | CC(C1=COC([C@H](NC2=C(C(C2=O)=O)NC3=CC=CC(C(N(C)C)=O)=C3O)CC)=C1)C | SCH-563705 | NCGC00379077-01 | AKOS015856220 | SCH 563705 | DTXSID90437927 | 3-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]ami
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
5mg
S649455-5mg
주문제작 · 8~12주
US$1,900.90
10mg
S649455-10mg
주문제작 · 8~12주
US$3,000.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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

SCH 563705 is a potent and orally available CXCR2 and CXCR1 antagonist, with IC 50 s of 1.3 nM, 7.3 nM and K i s of 1 and 3 nM, respectively.

In Vitro

SCH 563705 (Compound 16) is a potent and orally available CXCR2 and CXCR1 antagonist, with IC 50 s of 1.3 nM, 7.3 nM and K i s of 1 and 3 nM, respectively. SCH 563705 shows potent inhibition against both Gro-a and IL-8 induced human neutrophil migration (chemotaxis IC 50 = 0.5 nM, against 30 nM of Gro-a; chemotaxis IC 50 = 37 nM, against 3 nM of IL-8). SCH 563705 potently inhibits mouse CXCR2 (IC 50 = 5.2 nM). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

SCH 563705 has good oral pharmacokinetic profiles in rats, mice, monkeys and dogs . SCH 563705 (50 mg/kg p.o) reduces blood Ly6G + Ly6C + neutrophil frequency and unchanged levels of Ly6GLy6Chi monocytes. SCH563705 (3-30 mg/kg p.o) treatment causes a dosedependent elevation in plasma levels of CXCL1. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Animal administration

Mice Induction of anti-collagen antibody-induced arthritis. Anti-collagen antibody-induced arthritis (ABIA) is induced in BALB/c mice (n = 8 mice per treatment group) as follows. On day 0, mice are injected intraperitoneally with 4 mg ArthritoMAB Arthritis-inducing Antibody Cocktail. On day 3, mice are boosted intraperitoneally with 50 μg of lipopolysaccharide from Escherichia coli 055:B5 in 200 μL sterile PBS. In all studies, SCH 563705 is administered in a vehicle consisting of 0.4% METHOCEL E15 premium hydroxypropyl methylcellulose (MC) . Clinical scores are determined daily as follows. Each paw is assigned a score of 0-4 based on the following criteria: asymptomatic, 0; slight redness, 1; one or more swollen digits in addition to redness, 2; swelling of entire paw, 3; ankylosing of joints and residing of swelling, 4. The sum of the four paw scores for each mouse (0-16) are plotted against time to calculate the area under the curve (AUC) of disease activity. Paw hickness measurements are made daily using a micrometer caliper over the metatarsals of the paw. The percent change in paw thickness relative to baseline (day 0) measurements is then calculated . aladdin has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:CXCR2 1 nM (Ki) CXCR1 3 nM (Ki) CXCR2 1.3 nM (IC 50 ) CXCR1 7.3 nM (IC 50 ) Mouse CXCR2 5.2 nM (IC 50 )

Specifications

동의어
MS-27493 | AKOS016009722 | CC(C1=COC([C@H](NC2=C(C(C2=O)=O)NC3=CC=CC(C(N(C)C)=O)=C3O)CC)=C1)C | SCH-563705 | NCGC00379077-01 | AKOS015856220 | SCH 563705 | DTXSID90437927 | 3-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]ami
생화학 및 생리적 메커니즘
SCH 563705 is a potent and orally available CXCR2 and CXCR1 antagonist, with IC 50 s of 1.3 nM, 7.3 nM and K i s of 1 and 3 nM, respectively.
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
이름과 식별자
정식 스마일CCC(C1=CC(=CO1)C(C)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C
IUPAC Name3-[[3,4-dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
InChIKeyDGKQQEVYYPCMNE-OAHLLOKOSA-N
INCHI1S/C23H27N3O5/c1-6-15(17-10-13(11-31-17)12(2)3)24-18-19(22(29)21(18)28)25-16-9-7-8-14(20(16)27)23(30)26(4)5/h7-12,15,24-25,27H,6H2,1-5H3/t15-/m1/s1
이성체 SMILES CC[C@H](C1=CC(=CO1)C(C)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C
PubChem CID 10310100
분자량 425.48

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
분류Benzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct ParentAminosalicylic acids and derivatives
Alternative Parents Aminobenzamides  Salicylamides  Benzamides  o-Aminophenols  Aniline and substituted anilines  Benzoyl derivatives  1-hydroxy-4-unsubstituted benzenoids  Aralkylamines  Secondary alkylarylamines  Primary aromatic amines  Heteroaromatic compounds  Furans  Vinylogous amides  Tertiary carboxylic acid amides  Vinylogous acids  Cyclic ketones  Amino acids and derivatives  Oxacyclic compounds  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aminosalicylic acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Salicylamide - Benzamide - O-aminophenol - Aminophenol - Benzoyl - Aniline or substituted anilines - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Secondary aliphatic/aromatic amine - Primary aromatic amine - Furan - Vinylogous amide - Vinylogous acid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Cyclic ketone - Oxacycle - Carboxylic acid derivative - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
설명This compound belongs to the class of organic compounds known as aminosalicylic acids and derivatives. These are salicylic acids or derivatives carrying an amino group on the benzene ring.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
CXCR2 Tchem C-X-C chemokine receptor type 2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CXCR1 Tchem C-X-C chemokine receptor type 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CXCR2 Tchem Interleukin-8 receptor B (3491 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCR1 Tchem Interleukin-8 receptor A (2256 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rhesus monkey (3147 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 : ≥ 30 mg/mL (70.51 mM)
분자량425.500 g/mol
XLogP33.800
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass425.195 Da
Monoisotopic Mass425.195 Da
Topological Polar Surface Area112.000 Ų
Heavy Atom Count31
Formal Charge0
Complexity747.000
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
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.
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 473728-58-4, the molecular formula is C23H27N3O5, and the molecular weight is 425.48 g/mol. InChIKey DGKQQEVYYPCMNE-OAHLLOKOSA-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.

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.