(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione

Basic Information

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CAS Number

57103-68-1

Molecular Formula

C28H37ClN2O8

Molecular Weight

565.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

205-207 ºC

Density

1.34±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (2.2E-3 g/L) (25 ºC),

SMILES

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CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)O)C)C)OC)(NC(=O)O2)O

InChI

InChI=1S/C28H37ClN2O8/c1-15-8-7-9-22(37-6)28(35)14-20(38-26(34)30-28)16(2)25-27(3,39-25)21(32)13-23(33)31(4)18-11-17(10-15)12-19(36-5)24(18)29/h7-9,11-12,16,20-22,25,32,35H,10,13-14H2,1-6H3,(H,30,34)/b9-7+,15-8+/t16-,20+,21+,22-,25+,27+,28+/m1/s1

InChIKey

QWPXBEHQFHACTK-RZKXNLMUSA-N

LogP

3.1167000000000007

Topological Polar Surface Area

130.09 Å²

Hydrogen Bond Donor/Acceptor

3 / 10

Complexity

993

Synonyms & References

English

Ansamitocin P-0Ansamitocin P-0
Ansamitocin P-0
NSC-239386
57103-68-1
3-o-De(2-(acetylmethylamino)-1-oxopropyl)maytansine
Maytansine, 3-o-de(2-(acetylmethylamino)-1-oxopropyl)-
SCHEMBL13558643
CS-5322
(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione
UNII-ZWJ9A2AJ2U
MAYTANSINOL
EX-A2656
Maytansinol; Ansamitocin P-0
ZWJ9A2AJ2U
(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14,4-dihydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-diene-12,6-dione
Ansamitocin P 0
HY-19474
MFCD28144515
Maytansine,3-O-de[2-(acetylmethylamino)-1-oxopropyl]-
Maytansine, O3-de2-(acetylmethylamino)-1-oxopropyl-
Maytansinol
(3E,5E,7R,84S)-14-chloro-10t,11c-epoxy-84,12c-dihydroxy-15,7r-dimethoxy-3,9c,11t,15-tetramethyl-(84r'H,86c'H)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5-diene-82,14-dione
antibiotic C-15003-P-0
C-15003-Po,Maytansinol
Maytansinol (7)
NSC239386
O3-de-(N-acetyl-N-methyl-L-alanyl)-maytansine
Antibiotic C 15003P
3-O-De[2-(acetylmethylamino)-1-oxopropyl]maytansine
Maytansinol(Ansamitocin P-0)
(1S,2S,3R,5S,6S,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,

MDL Number

MFCD28144515

FAQ

What are the physical and chemical properties of (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione (CAS: 57103-68-1)?

The compound is a crystalline solid with a high molecular weight of approximately 649.8 g/mol. It has limited solubility in water but is soluble in organic solvents like ethanol and acetonitrile. Chemically, it is reactive towards nucleophiles and can undergo electrophilic substitution. The compound is stable under normal conditions but should be stored away from moisture and light.

How is (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione (CAS: 57103-68-1) typically synthesized?

The synthesis typically involves a series of steps including Wittig reactions, Grignard reactions, and a Diels-Alder reaction. The key catalysts used include organometallic reagents and Lewis acids. The final product can be isolated and purified by column chromatography, yielding a compound with high purity.

What industries use (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione (CAS: 57103-68-1)?

This compound is used in the pharmaceutical industry for the development of novel drugs due to its specific chemical structure. It may also find applications in the sensor and semiconductor industries, although the exact applications are not well-documented.

What precautions should be taken when handling (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione (CAS: 57103-68-1)?

When handling this compound, ensure proper personal protective equipment (PPE) is used, including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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Compound Q&A

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(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione | CAS No. 57103-68-1

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Density

Solubility

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione (CAS: 57103-68-1)?

How is (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione (CAS: 57103-68-1) typically synthesized?

What industries use (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione (CAS: 57103-68-1)?

What precautions should be taken when handling (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione (CAS: 57103-68-1)?

Related Compounds

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