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(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid | CAS No. 116783-35-8

(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

Basic Information

Chemical_Structure_Of
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CAS Number

116783-35-8

Molecular Formula

C33H38N2O13

Molecular Weight

670.67 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

178-183 °C

SMILES

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CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

InChI

InChI=1S/C33H38N2O13/c1-16(27(31(40)41)35-33(42)44-14-25-23-12-8-6-10-21(23)22-11-7-9-13-24(22)25)45-32-28(34-17(2)36)30(47-20(5)39)29(46-19(4)38)26(48-32)15-43-18(3)37/h6-13,16,25-30,32H,14-15H2,1-5H3,(H,34,36)(H,35,42)(H,40,41)/t16-,26-,27+,28-,29+,30-,32+/m1/s1

InChIKey

OXLCJWGAUPPZQJ-ZNHCDWFHSA-N

LogP

2.0394999999999994

Topological Polar Surface Area

202.08999999999997 Ų

Hydrogen Bond Donor/Acceptor

3 / 15

Complexity

1170

Synonyms & References

English

  • Fmoc-Thr[GalNAc(Ac)3-alpha-D]-OH
  • Fmoc-Thr[GalNAc(Ac)3-(c) paragraph sign-D]-OH
  • N--Fmoc-O--(2-acetamido-2-deoxy-3,4,6-tri-O-acetyl--D-galactopyranosyl)-L-threonine
  • 116783-35-8
  • L-Threonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl]-
  • N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-O-((2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)-L-threonine
  • N-alpha-(9-Fluoroenyloxycarbonyl)-o-(2-acetamido-2deoxy-3,4,6-tri-o-acetyl-alpha-d-galactopyranosyl)-l-threonine
  • N-alpha-(9-Fluorenylmethyloxycarbonyl)-O-(2-acetamido-2deoxy-3,4,6-tri-O-acetyl-alpha-D-galactopyranosyl)-L-threonine (Fmoc-L-Thr(alpha-D-GalNAc(Ac)3)-OH)
  • Fmoc-Thr(GalNAc(Ac)3-
  • Fmoc-Thr[GalNAc(Ac)3-alpha-D]-OH, 97%
  • A-D]-OH
  • MFCD00171374
  • SCHEMBL1737712
  • (2S,3R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-((2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yloxy)butanoic acid
  • W-200901
  • 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-a-D-galactopyranosyl-Fmoc threonine
  • (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
  • ZINC77292789
  • A-D)-OH
  • ZINC77292789(Fmoc-Thr(galnac(Ac)3-alpha-D)-OH)
  • EX-A3842
  • N-alpha-(fluoren-9-ylmethoxycarbonyl)-O-(2-acetamido-2-deoxy-3,4,6-tri-O-acetyl-alpha-D-galactopyranosyl)-L-threonine
  • Fmoc-Thr[GalNAc(Ac)3-
  • AKOS030530581
  • Fmoc-Thr(Ac?AcNH-alpha-Gal)-OH
  • HY-P0232
  • FMOC-THR(GALNAC(AC)3-ALPHA-D)-OH
  • CS-6902
  • Fmoc-Thr(galnac(Ac)3-alpha-D)-OH
  • N-Fmoc-O-beta-(2-acetamido-2-deoxy-3,4,6-tri-O-acetyl-alpha-D-galactopyranosyl)-L-threonine
  • N-Alpha-(9-Fluoroenyloxycarbonyl)-o-(2-Acetamido-2Deoxy-3,4,6-Tri-o-Acetyl-Alpha-d-Galactopyranosyl)-l-Threonine

MDL Number

MFCD00171374

FAQ

What regulatory guidelines apply to (2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid (CAS: 116783-35-8)?
This compound (CAS: 116783-35-8) falls under GHS classification as a hazardous substance due to its chemical structure. Regulatory requirements include compliance with REACH in the EU for registration, evaluation, authorization, and restriction of chemicals. In the US, FDA and EPA regulations apply for pharmaceutical and environmental safety. Specific handling and storage guidelines are necessary to ensure safety and compliance.

Are there alternatives to (2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid (CAS: 116783-35-8) in synthesis?
Alternatives to this compound (CAS: 116783-35-8) include similar functionalized derivatives or isomers with slight modifications. Common alternative reagents include other acylated amino acids or related compounds with simpler structures. These alternatives can offer similar reactivity while varying in complexity and synthesis cost.

What is the market or research trend for (2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid (CAS: 116783-35-8)?
Research trends for this compound (CAS: 116783-35-8) are focused on its potential applications in drug discovery and development, particularly in medicinal chemistry and bioconjugation. Market interest is growing due to its unique chemical properties. However, its high synthesis cost and complexity may limit widespread use. Emerging studies explore its use in targeted drug delivery systems and as a template for new drug candidates.

How should waste containing (2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid (CAS: 116783-35-8) be handled?
Waste containing this compound (CAS: 116783-35-8) should be collected in appropriate containers and labeled as hazardous. Incineration or professional waste disposal services should be used for safe disposal. Environmental protection measures include minimizing exposure to air and water during handling. Proper personal protective equipment (PPE) and safety protocols must be followed to prevent contamination and ensure worker safety.

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Supplier Information

WuHanXinWeiYe Chemical Co Ltd

CAS Number: 116783-35-8

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(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid — Shanghai SameSharp Biotechnology Co., Ltd.

Shanghai SameSharp Biotechnology Co., Ltd.

CAS Number: 116783-35-8

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(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid — Jin Jinle (Hunan) Chemical Co., Ltd.

Jin Jinle (Hunan) Chemical Co., Ltd.

CAS Number: 116783-35-8

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SiChuanWeiKeJi Biotechnology Co Ltd

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ShangHaiZhenZhun Biotechnology Co Ltd

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Shanghai Tengzhun BioScience Co., Ltd.

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Shanghai Bohui Meike Chemical Technology Co., Ltd.

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Wuhan OnePlusOne Biotechnology Co., Ltd

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Shanghai Jieshukai Biotechnology Co., Ltd.

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(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid — JiangSuAiKangShengWuYiYaoYanFa Co Ltd

JiangSuAiKangShengWuYiYaoYanFa Co Ltd

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Shanghai Mofu Medicine Technology Co., Ltd.

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Shanghai Chupeptide Biotechnology Co., Ltd.

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(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid — Beijing Bailingwei Technology Co., Ltd.

Beijing Bailingwei Technology Co., Ltd.

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(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid — Shanghai Yinxin Laboratory Equipment Co., Ltd.

Shanghai Yinxin Laboratory Equipment Co., Ltd.

CAS Number: 116783-35-8

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