Hetacillin potassium , Penicillin-binding protein inhibitor, CAS No.26939-80-0, Penicillin-binding protein inhibitor

CAS: 26939-80-0 Cat. No.: H671161 분자식: C19H22KN3O4S 분자량: 427.6
주문 가능
Synonyms
HETACILLIN POTASSIUM | HETACILLIN POTASSIUM [GREEN BOOK] | 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2,2-dimethyl-5-oxo-4-phenyl-imidazolinyl)-3,3-dimethyl-7-oxo-, monopotassium salt | EINECS 226-182-3 | potassium 6beta-[(4R)-2,2-dimethyl-5-
Storage
Room temperature
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가격
수량
1mg
H671161-1mg
주문제작 · 8~12주
US$999.90
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보관 및 배송

Room temperature 출고. 정확한 사양은 로트별 COA를 확인하세요.

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품질 문서

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문헌적 근거

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사양

동의어
HETACILLIN POTASSIUM | HETACILLIN POTASSIUM [GREEN BOOK] | 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2,2-dimethyl-5-oxo-4-phenyl-imidazolinyl)-3,3-dimethyl-7-oxo-, monopotassium salt | EINECS 226-182-3 | potassium 6beta-[(4R)-2,2-dimethyl-5-
보관 조건
Room temperature
작업 유형
INHIBITOR
작동 메커니즘
Penicillin-binding protein inhibitor
이름과 식별자
정식 스마일
CC1(C(N2C(S1)C(C2=O)N3C(=O)C(NC3(C)C)C4=CC=CC=C4)C(=O)[O-])C.[K+]
IUPAC Name
potassium;(2S,5R,6R)-6-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChIKey
QRSPJBLLJXVPDD-XFAPPKAWSA-M
INCHI
1S/C19H23N3O4S.K/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10;/h5-9,11-13,16,20H,1-4H3,(H,25,26);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1
이성체 SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N3C(=O)[C@H](NC3(C)C)C4=CC=CC=C4)C(=O)[O-])C.[K+]
분자량
427.6
Reaxy-Rn
5403821
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5403821&ln=

문서

📋 안전 데이터 시트(SDS)

위험성, 취급, 보관 및 규제 준수를 포괄하는 종합 문서.

<<<<<<< HEAD SDS 다운로드 → ======= SDS 다운로드 → >>>>>>> release248-p3

✅ 분석 성적서(COA)

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📊 데이터시트

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고급 데이터

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
분류Lactams
SubclassBeta lactams
Intermediate Tree Nodes Penams
Direct ParentPenicillins
Alternative Parents Phenylimidazolidines  Alpha amino acids and derivatives  Imidazolidinones  Benzene and substituted derivatives  Thiazolidines  Tertiary carboxylic acid amides  Amino acids  Azetidines  Carboxylic acid salts  Thiohemiaminal derivatives  Azacyclic compounds  Monocarboxylic acids and derivatives  Dialkylthioethers  Dialkylamines  Carboxylic acids  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organic potassium salts  Organic zwitterions  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Penicillin - Phenylimidazolidine - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Imidazolidine - Tertiary carboxylic acid amide - Thiazolidine - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid salt - Amino acid - Thioether - Organic alkali metal salt - Azacycle - Secondary amine - Dialkylthioether - Hemithioaminal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organic salt - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic zwitterion - Organic potassium salt - Hydrocarbon derivative - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].
External Descriptors organic potassium salt
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
NR1I2 Tchem Pregnane X receptor (6667 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 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
분자량427.600 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass427.097 Da
Monoisotopic Mass427.097 Da
Topological Polar Surface Area118.000 Ų
Heavy Atom Count28
Formal Charge0
Complexity695.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
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