Ledipasvir acetone - ≥98% , CAS No.1441674-54-9

CAS: 1441674-54-9 Cat. No.: L413102 분자식: C52H60F2N8O7 분자량: 947.08 PubChem CID: 78357793
주문 가능
GRADE & PURITY ≥98%
Synonyms
AKOS030524068 | I11799 | Ledipasvir acetone | UNII-3J78ET35HX | EX-A1089 | Ledipasvir acetonate (JAN) | Carbamic acid, N-((1S)-1-(((6S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((2S)-2-((methoxycarbonyl)amino)-3-methyl-1-oxobutyl)-2-azabicyclo(2.2.1)hept-3-y
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
5mg
L413102-5mg
3 재고 있음
—

US$245.90

US$377.90
저장 US$132.00 (34.93%)
10mg
L413102-10mg
3 재고 있음
—

US$470.90

US$549.90
저장 US$79.00 (14.37%)
25mg
L413102-25mg
3 재고 있음
—

US$809.90

US$1,155.90
저장 US$346.00 (29.93%)
50mg
L413102-50mg
3 재고 있음
—

US$1,530.90

US$1,785.90
저장 US$255.00 (14.28%)
100mg
L413102-100mg
3 재고 있음
—

US$2,081.90

US$3,097.90
저장 US$1,016.00 (32.80%)
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

Information

Ledipasvir acetone Ledipasvir (GS-5885) acetone is the active ingredient of Ledipasvir. Ledipasvir is a potent, oral active inhibitor of the hepatitis C virus (HCV) NS5A with EC50 of 31 pM and 4 pM against GT1a and GT1b replicon, respectively.


Targets

GT1b replicon (Cell-free assay); GT1a replicon (Cell-free assay) 4 pM(EC50); 31 pM(EC50)

Specifications

동의어
AKOS030524068 | I11799 | Ledipasvir acetone | UNII-3J78ET35HX | EX-A1089 | Ledipasvir acetonate (JAN) | Carbamic acid, N-((1S)-1-(((6S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((2S)-2-((methoxycarbonyl)amino)-3-methyl-1-oxobutyl)-2-azabicyclo(2.2.1)hept-3-y
사양 및 순도
≥98%
생화학 및 생리적 메커니즘
Ledipasvir (GS-5885) acetone is the active ingredient of Ledipasvir. Ledipasvir is a potent, oral active inhibitor of the hepatitis C virus (HCV) NS5A with EC50 of 31 pM and 4 pM against GT1a and GT1b replicon, 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.
순수함
≥98%
제품 특성
ALogP
7.075
HBD 수
4
회전 가능한 결합
12
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504772433
정식 스마일
CC(C)C(C(=O)N1CC2(CC2)CC1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)C9C1CCC(C1)N9C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC.CC(=O)C
IUPAC Name
methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;propan-2-one
InChIKey
FJPWYOHJVGOKNZ-NDANSHMASA-N
INCHI
1S/C49H54F2N8O6.C3H6O/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6;1-3(2)4/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63);1-2H3/t29-,30+,38-,39-,40-,41-;/m0./s1
이성체 SMILES
CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC.CC(=O)C
PubChem CID
78357793
분자량
947.08

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
분류Fluorenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentFluorenes
Alternative Parents Valine and derivatives  Alpha amino acid amides  Benzimidazoles  N-acylpiperidines  N-acylpyrrolidines  Tertiary carboxylic acid amides  Heteroaromatic compounds  Imidazoles  Methylcarbamates  Ketones  Azacyclic compounds  Hydrocarbon derivatives  Alkyl fluorides  Organonitrogen compounds  Organofluorides  Organic oxides  
Molecular FrameworkNot available
Substituents Fluorene - Valine or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-acyl-piperidine - Benzimidazole - N-acylpyrrolidine - Piperidine - Azole - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrolidine - Imidazole - Methylcarbamate - Carboxamide group - Ketone - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate Type날짜항목
C23081009Certificate of AnalysisDec 10, 2025 L413102
C23081011Certificate of AnalysisDec 10, 2025 L413102
C2308979Certificate of AnalysisDec 10, 2025 L413102
C2308980Certificate of AnalysisDec 10, 2025 L413102
C2308984Certificate of AnalysisDec 10, 2025 L413102
화학 및 물리적 특성
용해성Solubility (25°C) In vitro DMSO: 100 mg/mL (105.58 mM); Ethanol: 100 mg/mL (105.58 mM); Water: Insoluble;
DMSO(mg/mL) 최대 용해도100
DMSO(mM) 최대 용해도105.587701144571
물(mg/mL) 최대 용해도<1
분자량947.100 g/mol
XLogP3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass946.455 Da
Monoisotopic Mass946.455 Da
Topological Polar Surface Area192.000 Ų
Heavy Atom Count69
Formal Charge0
Complexity1850.000
Isotope Atom Count0
Defined Atom Stereocenter Count6
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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