115058-60-1

• 

• Basic information

  1. Product Name: estrynamine
  2. Synonyms: estrynamine
  3. CAS NO:115058-60-1
  4. Molecular Formula: C21H27 N O2
  5. Molecular Weight: 325.44
  6. EINECS: N/A
  7. Product Categories: N/A
  8. Mol File: 115058-60-1.mol
  9. Article Data: 1

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: 522.7°Cat760mmHg
  3. Flash Point: 269.9°C
  4. Appearance: /
  5. Density: 1.23g/cm³
  6. Vapor Pressure: 9.4E-12mmHg at 25°C
  7. Refractive Index: 1.64
  8. Storage Temp.: N/A
  9. Solubility: N/A
  10. PKA: 10.24±0.60(Predicted)
  11. CAS DataBase Reference: estrynamine(CAS DataBase Reference)
  12. NIST Chemistry Reference: estrynamine(115058-60-1)
  13. EPA Substance Registry System: estrynamine(115058-60-1)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 115058-60-1(Hazardous Substances Data)

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• Downstream Products
• Article

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• Estra-1,3,5(10)-triene-3,17-diol,17-(3-amino-1-propyn-1-yl)-, (17b)-

  Cas No: 115058-60-1

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115058-60-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 115058-60-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,5,0,5 and 8 respectively; the second part has 2 digits, 6 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 115058-60:
(8*1)+(7*1)+(6*5)+(5*0)+(4*5)+(3*8)+(2*6)+(1*0)=101
101 % 10 = 1
So 115058-60-1 is a valid CAS Registry Number.

InChI:InChI=1/C21H27NO2/c1-20-10-7-17-16-6-4-15(23)13-14(16)3-5-18(17)19(20)8-11-21(20,24)9-2-12-22/h4,6,13,17-19,23-24H,3,5,7-8,10-12,22H2,1H3/t17-,18-,19+,20+,21+/m1/s1

115058-60-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name	estrynamine

1.2 Other means of identification

Product number	-
Other names	(8R,9S,13S,14S,17S)-17-(3-Amino-prop-1-ynyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:115058-60-1 SDS

115058-60-1Upstream product

• 115058-58-7 17α-<3'-(2'',5''-dimethyl-1''-pyryl)-1'-propyn-1'-yl>-1,3,5(10)-estratriene-3,17β-diol 3-tetrahydropyranyl ether 
• 7103-48-2 3-tetrahydropyranyloxy-1,3,5⁽¹⁰⁾-estratrien-17-one 
• 115058-59-8 17α-<3'-(2'',5''-dimethyl-1''-pyryl)-1'-propyn-1'-yl>-1,3,5(10)-estratriene-3,17β-diol 

115058-60-1Downstream Products

• 115058-61-2 17α-(3'-amino-1'-propyn-1'-yl)-1,3,5(10)-estratriene-3,17β-diol 3-(p-hydroxyphenyl)propionamide 

115058-60-1Relevant articles and documents

CONJUGATES OF STEROIDS AND ANTI-CANCER AGENTS. III. THE SYNTHESIS OF ESTRYNAMINE AND CERTAIN DERIVATIVES

Blickenstaff, Robert T.,Forster, Emerson,Gerzon, Koert,Young, Peter

, p. 223 - 232 (2007/10/02)

Propargyl amine was protected by condensing it with 2,5-hexanedione to give 2,5-dimethyl-N-(2'-propyn-1'-yl)pyrrole (2).The latter was converted to the corresponding Grignard reagent with ethylmagnesium bromide, and then condensed with estrone tetrahydropyranyl ether to give 17α--1,3,5(10)-estratriene-3,17β-diol 3-tetrahydropyranyl ether (3), in 85percent yield.Acetic acid and methanol cleaved the tetrahydropyranyl ether group, and hydroxylamine and sodium bicarbonate cleaved the pyrrole ring to give 17α-(3'-amino-1'-propyn-1'-yl)-1,3,5(10)-estratriene-3,17β-diol (1), estrynamine.Several derivatives and analogs of 1 were also synthesized.Estrynamine binds to estrogen receptor with an RBA of 0.0045 (estradiol = 1.0).Several of the compounds, including estrynamine, are weak estrogens (stimulation of prolactin synthesis).

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