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Pregnenolone methyl ether

HCID 233254
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
511-26-2
Standard SMILES
CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1
InChIKey
ZVGQOQHAMHMMNE-BIBIXIOVSA-N
Molecular formula
C22H34O2
Average molar mass
330.5 g/mol
Monoisotopic mass
330.25588032

Names & identifiers

Preferred name
Pregnenolone methyl ether
IUPAC
1-[(3S,8S,9S,10R,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
English name
1-[(3S,8S,9S,10R,13R,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11, 12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular formula
C22H34O2
Molecular weight
330.5

Names & synonyms

Pregnenolone methyl ether511-26-2MAP4343Pregnenolone 3-methyl etherMAP-4343NSC-31617Pregnenolone methyl ether [MI]TU767RK7YN1-[(3S,8S,9S,10R,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoneL-542856-0UNII-TU767RK7YN3beta-Methoxy-5-pregnen-20-one
Show more names
MAP4343, 10 mM in DMSO(3β)-3-methoxypregn-5-en-20-onePregn-5-en-20-one, 3-methoxy-, (3β)-5-Pregnen-3B-ol-20-one-17a,21,21,21-d4 3-Methyl Ether1-[(3S,8S,9S,10R,13R,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11, 12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoneinhibit,microtubule-associated,Microtubule/Tubulin,Pregnenolone,MAP2,tubulin,polymerization,neurites,MAP 4343,MAP4343,Inhibitor,MAP-4343,protein
3beta-Methoxypregn-5-en-20-one3ss-MethoxyPREG1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-7-methoxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-onePregn-5-en-20-one, 3-methoxy-, (3beta)-orb1298059SCHEMBL2513673DTXSID901304765GLXC-07041

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
24
Formal charge
0
Complexity
564

Physicochemical properties

Melting point
123.5 ° · 123.5°
alpha
18 · D18 +18° (c = 1.085 in chloroform)
Boiling point
426.6 · 426.6±45.0 °C(Predicted)
Density
1.04 · 1.04±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
solubility
25 mg/mL · DMSO: 25 mg/mL (75.64 mM)
form
Solid
color
White to off-white
FDA UNII
767 RK7YN · TU767RK7YN
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319
Precautionary statements
501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319
Precautionary statements
P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Chemistry & industry

Applications · 1 item

UsesMAP4343 is the 3-methylether derivative of Pregnenolone. MAP4343 binds in vitro to microtubule-associated protein 2 (MAP2), stimulates the polymerization of tubulin, enhances the extension of neurites and protects neurons against neurotoxic agents[1][2].

Suppliers28 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
欧利希(湖北)医药科技有限公司17316404525 17316404525 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
511-26-2
PubChem CID
233254
DTXSID
DTXSID901304765
UNII
TU767RK7YN
Nikkaji
J6.265K
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
淄博航宇生物科技发展有限公司13053322091 13053322091 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
Shenyang Zhongshen Zekang Biomedical Technology Research Co., Ltd+86-18341751992 +86-15382112998 · [email protected]
医恩医疗系统研发(上海)有限公司021-58958002 18930822973 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]